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92585-16-5 | Alanine, N-(carboxyacetyl)-2-methyl-
CAS No: 92585-16-5 Catalog No: AG006GMQ MDL No:
Product Description
Catalog Number:
AG006GMQ
Chemical Name:
Alanine, N-(carboxyacetyl)-2-methyl-
CAS Number:
92585-16-5
Molecular Formula:
C7H11NO5
Molecular Weight:
189.1659
IUPAC Name:
2-[(2-carboxyacetyl)amino]-2-methylpropanoic acid
InChI:
InChI=1S/C7H11NO5/c1-7(2,6(12)13)8-4(9)3-5(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)
InChI Key:
SQSLZQUMOAKEIZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(=O)NC(C(=O)O)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
189.167g/mol
Monoisotopic Mass:
189.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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