Home Carbonyls Alanine, N-(aminocarbonyl)-

Alanine, N-(aminocarbonyl)-

CAS No.:
18409-49-9
Catalog Number:
AG00I1FZ
Molecular Formula:
C4H8N2O3
Molecular Weight:
132.1179
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Product Description
Catalog Number:
AG00I1FZ
Chemical Name:
Alanine, N-(aminocarbonyl)-
CAS Number:
18409-49-9
Molecular Formula:
C4H8N2O3
Molecular Weight:
132.1179
MDL Number:
MFCD00037445
IUPAC Name:
(2S)-2-(carbamoylamino)propanoic acid
InChI:
InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m0/s1
InChI Key:
LUSWEUMSEVLFEQ-REOHCLBHSA-N
SMILES:
NC(=O)N[C@H](C(=O)O)C
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
132.053g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
132.119g/mol
Monoisotopic Mass:
132.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
ß-ureidopropionase deficiency: phenotype, genotype and protein structural consequences in 16 patients. Biochimica et biophysica acta 20120701
Human synthetic lethal inference as potential anti-cancer target gene detection. BMC systems biology 20090101
Properties