Home Aminos Alanine, N-acetyl-3-(methylamino)- (9CI)

Alanine, N-acetyl-3-(methylamino)- (9CI)

CAS No.:
119945-11-8
Catalog Number:
AG0097TZ
Molecular Formula:
C6H12N2O3
Molecular Weight:
160.1711
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Product Description
Catalog Number:
AG0097TZ
Chemical Name:
Alanine, N-acetyl-3-(methylamino)- (9CI)
CAS Number:
119945-11-8
Molecular Formula:
C6H12N2O3
Molecular Weight:
160.1711
MDL Number:
MFCD18824119
IUPAC Name:
2-acetamido-3-(methylamino)propanoic acid
InChI:
InChI=1S/C6H12N2O3/c1-4(9)8-5(3-7-2)6(10)11/h5,7H,3H2,1-2H3,(H,8,9)(H,10,11)
InChI Key:
PAIDTRITGXTLRV-UHFFFAOYSA-N
SMILES:
CNCC(C(=O)O)NC(=O)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
78.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5  
Properties