cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride

C₆H₁₂ClNO₂CAS 128110-37-2165.62 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₁₂ClNO₂
Molar mass: 165.62 g/mol
Exact mass: 165.0557 Da
logP: 0.62Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

128110-37-2

SMILES

C1C[C@H]([C@H](C1)N)C(=O)O.Cl

InChIKey

LVBDVNLIEHCCTP-JBUOLDKXSA-N

InChI

InChI=1S/C6H11NO2.ClH/c7-5-3-1-2-4(5)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H/t4-,5+;/m1./s1

Weigh it out

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

Names and synonyms

1 names

(1R,2S)-(-)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride

Work with cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride

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.

(1S,2R)-(+)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128052-92-6Enantiomer

Similar compounds

trans-1,2-Cyclopentanedicarboxylic acid1461-97-859 % similar 1,2-Cyclohexanedicarboxylic acid1687-30-554 % similar (±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-054 % similar (1R,2R)-(-)-1,2-Cyclohexanedicarboxylic acid46022-05-354 % similar cis-1,2-Cyclohexanedicarboxylic acid610-09-354 % similar (R,R)-1,2-Diammoniumcyclohexane mono-(+)-tartrate39961-95-052 % similar (1S,2S)-(-)-1,2-Diaminocyclohexane D-tartrate67333-70-452 % similar Diaminopimelic acid583-93-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-2-Methylpyrrolidine-2-carboxylic acid (hydrochloride)1508261-86-6 Methyl 3-pyrrolidinecarboxylate hcl198959-37-4 Methyl prolinate hydrochloride2133-40-6 Aminoethyl methacrylate hydrochloride2420-94-2 Isonipecotic acid hydrochloride5984-56-5 (R)-Proline methyl ester hydrochloride65365-28-8 H-Dl-pro-ome hcl79397-50-5

Elsewhere

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