Methyl 3-pyrrolidinecarboxylate hcl

C₆H₁₂ClNO₂CAS 198959-37-4165.62 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₆H₁₂ClNO₂
Molar mass: 165.62 g/mol
Exact mass: 165.0557 Da
logP: 0.19Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed95.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 21 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

198959-37-4

SMILES

COC(=O)C1CCNC1.Cl

InChIKey

VVBSXSVVMNGQIN-UHFFFAOYSA-N

InChI

InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H

Weigh it out

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

Names and synonyms

1 names

Methyl pyrrolidine-3-carboxylate hydrochloride

Work with Methyl 3-pyrrolidinecarboxylate hcl

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.

Methyl 3-pyrrolidinecarboxylate98548-90-4Free base (R)-Methyl pyrrolidine-3-carboxylate hydrochloride874964-22-4Defined stereoisomer

Similar compounds

(S)-3-Methyl piperidine carboxylate hydrochloride164323-84-681 % similar Methyl isonipecotate hydrochloride7462-86-480 % similar Methyl azetidine-3-carboxylate hydrochloride100202-39-973 % similar Methyl (3R)-3-piperidinecarboxylate164323-85-772 % similar Methyl piperidine-3-carboxylate50585-89-272 % similar Methyl isonipecotate2971-79-170 % similar Ethyl pyrrolidine-3-carboxylate hydrochloride80028-44-066 % similar Methyl 4-oxopiperidine-3-carboxylate hydrochloride71486-53-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1S,2R)-(+)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128052-92-6 cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128110-37-2 (S)-2-Methylpyrrolidine-2-carboxylic acid (hydrochloride)1508261-86-6 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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