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160885-20-1 | L-Alanine, 3-(methylamino)-N-[(phenylmethoxy)carbonyl]-
CAS No: 160885-20-1 Catalog No: AG001VFG MDL No:MFCD08064011
Product Description
Catalog Number:
AG001VFG
Chemical Name:
L-Alanine, 3-(methylamino)-N-[(phenylmethoxy)carbonyl]-
CAS Number:
160885-20-1
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD08064011
IUPAC Name:
(2S)-3-(methylamino)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C12H16N2O4/c1-13-7-10(11(15)16)14-12(17)18-8-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChI Key:
BURBUFWJXKXRGK-JTQLQIEISA-N
SMILES:
CNC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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