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1190-46-1 | Butanoic acid, 4-(acetylamino)-2-amino-, (2S)-
CAS No: 1190-46-1 Catalog No: AG000P0F MDL No:MFCD21363201
Product Description
Catalog Number:
AG000P0F
Chemical Name:
Butanoic acid, 4-(acetylamino)-2-amino-, (2S)-
CAS Number:
1190-46-1
Molecular Formula:
C6H12N2O3
Molecular Weight:
160.1711
MDL Number:
MFCD21363201
IUPAC Name:
(2S)-4-acetamido-2-aminobutanoic acid
InChI:
InChI=1S/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChI Key:
YLZRFVZUZIJABA-YFKPBYRVSA-N
SMILES:
CC(=O)NCC[C@@H](C(=O)O)N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
160.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
160.173g/mol
Monoisotopic Mass:
160.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4
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