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(1S,2R)-2-Aminocyclopentanecarboxylic acid

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Name

(1S,2R)-2-Aminocyclopentanecarboxylic acid

EINECS N/A
CAS No. 64191-14-6 Density 1.19 g/cm3
PSA 63.32000 LogP 0.89870
Solubility N/A Melting Point 218-219 °C (sublm)(Solv: water (7732-18-5); acetone (67-64-1))
Formula C6H11NO2 Boiling Point 264.72 °C at 760 mmHg
Molecular Weight 129.159 Flash Point 113.899 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 64191-14-6 ((1S,2R)-2-Aminocyclopentanecarboxylic acid) Hazard Symbols N/A
Synonyms

Cyclopentanecarboxylicacid, 2-amino-, (1S-cis)-;(+)-Cispentacin;cis-(1S,2R)-2-Aminocyclopentanecarboxylic acid;(1S,2R)-2-Aminocyclopentanecarboxylic acid;

Article Data 10

(1S,2R)-2-Aminocyclopentanecarboxylic acid Specification

The (1S,2R)-2-Aminocyclopentanecarboxylic acid with CAS registry number of 64191-14-6 is also known as (+)-Cispentacin. The systematic name and product name are the same. It belongs to product categories of Aminoacid. In addition, the formula is C6H11NO2 and the molecular weight is 129.16.

The other characteristics of (1S,2R)-2-Aminocyclopentanecarboxylic acid can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 63.32 Å2; (10)Index of Refraction: 1.515; (11)Molar Refractivity: 32.719 cm3; (12)Molar Volume: 108.536 cm3; (13)Polarizability: 12.971×10-24cm3; (14)Surface Tension: 49.946 dyne/cm; (15)Density: 1.19 g/cm3; (16)Flash Point: 113.899 °C; (17)Enthalpy of Vaporization: 55.328 kJ/mol; (18)Boiling Point: 264.72 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: C1C[C@@H]([C@@H](C1)N)C(=O)O
(2)InChI: InChI=1/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m0/s1
(3)InChIKey: JWYOAMOZLZXDER-CRCLSJGQBQ
(4)Std. InChI: InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m0/s1
(5)Std. InChIKey: JWYOAMOZLZXDER-CRCLSJGQSA-N

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