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1140972-32-2 | Cyclopentanecarboxylic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester, (1S,2R)-
CAS No: 1140972-32-2 Catalog No: AG000AJX MDL No:MFCD26404522
Product Description
Catalog Number:
AG000AJX
Chemical Name:
Cyclopentanecarboxylic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester, (1S,2R)-
CAS Number:
1140972-32-2
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD26404522
IUPAC Name:
ethyl (1S,2R)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
InChI:
InChI=1S/C16H21NO4/c1-2-20-15(18)13-9-6-10-14(13)17-16(19)21-11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,19)/t13-,14+/m0/s1
InChI Key:
HHLVBYDRFDRWTE-UONOGXRCSA-N
SMILES:
CCOC(=O)[C@H]1CCC[C@H]1NC(=O)OCc1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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