Methyl 1-amino-1-cyclopentanecarboxylate hydrochloride

C₇H₁₄ClNO₂CAS 60421-23-0179.64 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₇H₁₄ClNO₂
Molar mass: 179.64 g/mol
Exact mass: 179.0713 Da
logP: 0.85Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

60421-23-0

SMILES

COC(=O)C1(CCCC1)N.Cl

InChIKey

OPUJUITUYWGUEP-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NO2.ClH/c1-10-6(9)7(8)4-2-3-5-7;/h2-5,8H2,1H3;1H

Weigh it out

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

Names and synonyms

1 names

Methyl 1-amino-1-cyclopentanecarboxylate, HCl

Work with Methyl 1-amino-1-cyclopentanecarboxylate 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

Similar compounds

Methyl 1-aminocyclopropane-1-carboxylate hydrochloride72784-42-088 % similar α-Aminoisobutyric acid methyl ester hydrochloride15028-41-853 % similar Methyl (S)-2-amino-3-hydroxy-2-methylpropanoate hydrochloride114396-63-349 % similar 4-Aminobicyclo[2.2.2]octane-1-carboxylic acid methyl ester135908-33-747 % similar Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate1459-96-747 % similar Dimethyl 1,1-cyclopropanedicarboxylate6914-71-247 % similar 1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-044 % similar Methyl 1-methylcyclopropane-1-carboxylate6206-25-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

H-D-Pro-oet hcl131477-20-8 (S)-3-Methyl piperidine carboxylate hydrochloride164323-84-6 1-Methylpiperidine-3-carboxylic acid hydrochloride19999-64-5 2-Methyl-L-proline methyl ester hydrochloride220060-08-2 1-Methylpiperidine-2-carboxylic acid hydrochloride25271-35-6 trans-4-Amino-cyclohexane carboxylic acid hydrochloride27960-59-4 Stachydrine chloride4136-37-2 1,4-Dioxa-8-azaspiro(4.5)decane hydrochloride42899-11-6

Elsewhere

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