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158262-07-8 | Cyclopentanecarboxylic acid, 2-[(phenylmethyl)amino]-, ethyl ester, (1R,2S)-rel-
CAS No: 158262-07-8 Catalog No: AG001Q2O MDL No:
Product Description
Catalog Number:
AG001Q2O
Chemical Name:
Cyclopentanecarboxylic acid, 2-[(phenylmethyl)amino]-, ethyl ester, (1R,2S)-rel-
CAS Number:
158262-07-8
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate
InChI:
InChI=1S/C15H21NO2/c1-2-18-15(17)13-9-6-10-14(13)16-11-12-7-4-3-5-8-12/h3-5,7-8,13-14,16H,2,6,9-11H2,1H3/t13-,14+/m1/s1
InChI Key:
MQQOIBAPZYNAPG-KGLIPLIRSA-N
SMILES:
CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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