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32159-21-0 | (S)-1-(Benzyloxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid
CAS No: 32159-21-0 Catalog No: AG0039J1 MDL No:MFCD00037352
Product Description
Catalog Number:
AG0039J1
Chemical Name:
(S)-1-(Benzyloxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid
CAS Number:
32159-21-0
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
MDL Number:
MFCD00037352
IUPAC Name:
(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)/t10-/m0/s1
InChI Key:
VHSFUGXCSGOKJX-JTQLQIEISA-N
SMILES:
OC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1
EC Number:
250-936-0
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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