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35761-26-3 | 3-Amino-N-[(phenylmethoxy)carbonyl]-L-alanine
CAS No: 35761-26-3 Catalog No: AG0039O2 MDL No:MFCD00237345
Product Description
Catalog Number:
AG0039O2
Chemical Name:
3-Amino-N-[(phenylmethoxy)carbonyl]-L-alanine
CAS Number:
35761-26-3
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
MDL Number:
MFCD00237345
IUPAC Name:
(2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChI Key:
FOXRXVSTFGNURG-VIFPVBQESA-N
SMILES:
NC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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