3-Aminocyclopentane-1-carboxylic acid

C₆H₁₁NO₂CAS 71830-07-4129.16 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₁₁NO₂
Molar mass: 129.16 g/mol
Exact mass: 129.0790 Da
logP: 0.20Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

71830-07-4

SMILES

N[C@@H]1CC[C@H](C(=O)O)C1

InChIKey

MLLSSTJTARJLHK-CRCLSJGQSA-N

InChI

InChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

(1S,3R)-3-Aminocyclopentanecarboxylic acid
Cyclopentanecarboxylic acid, 3-amino-, (1S,3R)-
Cyclopentanecarboxylic acid, 3-amino-, (1S-cis)-
(+)-cis-3-Aminocyclopentanecarboxylic acid
(1S,3R)-3-Aminocyclopentane-1-carboxylic acid

Work with 3-Aminocyclopentane-1-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(1R,3S)-3-Aminocyclopentanecarboxylic acid71830-08-5Enantiomer 3-Aminocyclopentanecarboxylic acid89614-96-0Stereo not defined

Similar compounds

3-Aminocyclohexanecarboxylic acid25912-50-978 % similar rac-(1R,3S)-3-Aminocyclohexane-1-carboxylic acid81131-40-078 % similar 4-Aminocyclohexanecarboxylic acid1776-53-076 % similar cis-4-Aminocyclohexanecarboxylic acid3685-23-276 % similar trans-4-Aminocyclohexanecarboxylic acid3685-25-476 % similar 3-Aminocyclobutane-1-carboxylic acid74316-27-172 % similar trans-4-Amino-cyclohexane carboxylic acid hydrochloride27960-59-468 % similar 1,3-Cyclopentanedicarboxylic acid4056-78-467 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

L-Cyclopropylalanine102735-53-5 D-Cyclopropylalanine121786-39-8 4,4-Dimethoxybutanenitrile14618-78-1 N-Acetylmorpholine1696-20-4 (4S)-(-)-4-Isopropyl-2-oxazolidinone17016-83-0 (+)-Pipecolic acid1723-00-8 Dimethylacetoacetamide2044-64-6 (-)-Nipecotic acid25137-00-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook