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27174-15-8 | (2S,3R)-2-(2-Aminoacetamido)-3-hydroxybutanoic acid
CAS No: 27174-15-8 Catalog No: AG003QSR MDL No:MFCD00047937
Product Description
Catalog Number:
AG003QSR
Chemical Name:
(2S,3R)-2-(2-Aminoacetamido)-3-hydroxybutanoic acid
CAS Number:
27174-15-8
Molecular Formula:
C6H12N2O4
Molecular Weight:
176.1705
MDL Number:
MFCD00047937
IUPAC Name:
2-[(2-aminoacetyl)amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)
InChI Key:
OLIFSFOFKGKIRH-UHFFFAOYSA-N
SMILES:
NCC(=O)N[C@H](C(=O)O)[C@H](O)C
EC Number:
248-286-8
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
176.172g/mol
Monoisotopic Mass:
176.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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