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119993-55-4 | Cyclopentanecarboxylic acid, 2-amino-, methyl ester, hydrochloride (1:1), (1R,2S)-rel-
CAS No: 119993-55-4 Catalog No: AG000PZD MDL No:MFCD09997947
Product Description
Catalog Number:
AG000PZD
Chemical Name:
Cyclopentanecarboxylic acid, 2-amino-, methyl ester, hydrochloride (1:1), (1R,2S)-rel-
CAS Number:
119993-55-4
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
MDL Number:
MFCD09997947
IUPAC Name:
methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride
InChI:
InChI=1S/C7H13NO2.ClH/c1-10-7(9)5-3-2-4-6(5)8;/h5-6H,2-4,8H2,1H3;1H/t5-,6+;/m1./s1
InChI Key:
KXQFCNYQRWIKML-IBTYICNHSA-N
SMILES:
COC(=O)[C@@H]1CCC[C@@H]1N.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
179.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.644g/mol
Monoisotopic Mass:
179.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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