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  • Cyclopentanecarboxylicacid, 2-amino-, (1R,2S
Name:Cyclopentanecarboxylicacid, 2-amino-, (1R,2S
CAS No:122672-46-2

PRODUCT DESCRIPTION

【Name】
Cyclopentanecarboxylicacid, 2-amino-, (1R,2S)-
【Iupac name】
(1R,2S)-2-aminocyclopentane-1-carboxylic acid
【CAS Registry number】
122672-46-2
【Synonyms】
Cyclopentanecarboxylicacid, 2-amino-, (1R-cis)-
(-)-(1R,2S)-Cispentacin
(-)-Cispentacin
(1R,2S)-2-Aminocyclopentanecarboxylic acid
Antibiotic FR 109615
Cispentacin
FR 109615
cis-(1R,2S)-2-Aminocyclopentane-1-carboxylic acid
【Molecular Formula】
C6H11 N O2 (Products with the same molecular formula)
【Molecular Weight】
129.16
【Inchi】
InChI=1/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m1/s1
【Canonical SMILES】
C1CC(C(C1)N)C(=O)O
【Isomers smiles】
C1C[C@H]([C@H](C1)N)C(=O)O
【MOL File】
122672-46-2.mol

Chemical and Physical Properties

【Density】
1.19g/cm3
【Boiling Point】
264.7°C at 760 mmHg
【Vapour】
0.00278mmHg at 25°C
【Refractive Index】
1.514
【Flash Point】
113.9°C
【Computed Properties】
Molecular Weight:129.15704 [g/mol]
Molecular Formula:C6H11NO2
XLogP3-AA:-2
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:1
Exact Mass:129.078979
MonoIsotopic Mass:129.078979
Topological Polar Surface Area:63.3
Heavy Atom Count:9
Formal Charge:0
Complexity:124
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:6

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