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Revision as of 15:36, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 443314178 of page 2-Aminomuconic_semialdehyde for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 15:36, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 456508896 of page 2-Aminoisobutyric_acid for the Chem/Drugbox validation project (updated: 'DrugBank').Next edit →
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	{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{chembox		{{chembox
			\| Verifiedfields = changed
	\| verifiedrevid = ~~443313218~~		\| verifiedrevid = 456507634
	\| ImageFile = 2-aminomuconic semialdehyde.png
			\| Name = 2-Aminoisobutyric acid
	\| ImageName = Skeletal formula
			\| ImageFile = 2-aminoisobutyric acid.svg
	\| ImageFile1 = 2-Aminomuconic-semialdehyde-3D-balls.png
		⚫	\| IUPACName = 2-Amino-2-methylpropanoic acid
	\| ImageName1 = Ball-and-stick model
			\| OtherNames = α-Aminoisobutyric acid<br/>2-Methylalanine
⚫	\|IUPACName=2-Amino~~-6-oxohexa~~-2,4-~~dienoic~~ acid
		⚫	\| Section1 = {{Chembox Identifiers
	\|OtherNames=
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\|Section1={{Chembox Identifiers
		⚫	\| ChemSpiderID = 5891
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
⚫	\| ChemSpiderID = ~~4444230~~
			\| KEGG = C03665
	\| InChI = 1/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1-,5-3+
			\| InChI = 1/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
	\| InChIKey = QCGTZPZKJPTAEP-REDYYMJGBN
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
⚫	\| ~~SMILES1~~ = O=C~~\C=C\C=~~C(/N)C~~(=O~~)O
			\| ChEBI = 27971
		⚫	\| SMILES = O=C(O)C(N)(C)C
			\| InChIKey = FUOOLUPWFVMBKG-UHFFFAOYAD
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C6H7NO3~~/c7-5(6(9)~~10)3-~~1-~~2-4-8/h1-4H,7H2~~,(H,9,10)~~/b2-1-,5-3+~~		\| StdInChI = 1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~QCGTZPZKJPTAEP~~-~~REDYYMJGSA~~-N		\| StdInChIKey = FUOOLUPWFVMBKG-UHFFFAOYSA-N
	\| CASNo = <!-- ~~blanked - oldvalue: 150994-59-5 -->~~		\| CASNo = 62-57-7
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| PubChem=30
			\| EC-number = 200-544-0
⚫	\| ~~ChEBI_Ref~~ = {{~~ebicite~~\|correct\|~~EBI~~}}
	\| ~~ChEBI~~ = ~~15745~~		\| PubChem = 6119
			\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| SMILES=C(=CC=O)C=C(C(=O)O)N
			\| DrugBank = DB02952
	}}		}}
	\|Section2={{Chembox Properties		\| Section2 = {{Chembox Properties
	\| Formula=C<sub>6</sub>H<sub>7</sub>NO<sub>3</sub>
			\| C=4 \| H=9 \| N=1 \| O=2
	\| MolarMass=~~141~~.12 g/mol		\| MolarMass = 103.12 g/mol
	\| Appearance=
			\| pKa=2.36 (carboxyl), 10.21 (amino)<ref>Dawson, R.M.C., et al., ''Data for Biochemical Research'', Oxford, Clarendon Press, 1959.</ref>
	\| Density=
	\| MeltingPt=
	\| BoilingPt=
	\| Solubility=
	}}
	\|Section3={{Chembox Hazards
	\| MainHazards=
	\| FlashPt=
	\| Autoignition=
	}}		}}
	}}		}}

Revision as of 15:36, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 456508896 of page 2-Aminoisobutyric_acid with values updated to verified values.

2-Aminoisobutyric acid
Names

IUPAC name 2-Amino-2-methylpropanoic acid
Other names α-Aminoisobutyric acid 2-Methylalanine
Identifiers
CAS Number	62-57-7
3D model (JSmol)	Interactive image
ChEBI	CHEBI:27971
ChemSpider	5891
DrugBank	DB02952
KEGG	C03665
PubChem CID	6119
InChI InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)Key: FUOOLUPWFVMBKG-UHFFFAOYSA-N InChI=1/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)Key: FUOOLUPWFVMBKG-UHFFFAOYAD
SMILES O=C(O)C(N)(C)C
Properties
Chemical formula	C₄H₉NO₂
Molar mass	103.12 g/mol
Acidity (pK_a)	2.36 (carboxyl), 10.21 (amino)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Chemical compound

Dawson, R.M.C., et al., Data for Biochemical Research, Oxford, Clarendon Press, 1959.