Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride

C₁₀H₁₈ClNO₂CAS 1147103-42-1219.71 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₁₀H₁₈ClNO₂
Molar mass: 219.71 g/mol
Exact mass: 219.1026 Da
logP: 1.36Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: S, S, Rin 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 2 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

1147103-42-1

SMILES

CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1.Cl

InChIKey

CHVSZCHUIDYZIU-YWUTZLAHSA-N

InChI

InChI=1S/C10H17NO2.ClH/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9;/h7-9,11H,2-6H2,1H3;1H/t7-,8-,9-;/m0./s1

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Names and synonyms

1 names

(1S,3Ar,6as)-octahydrocyclopenta[C]pyrrole-1-carboxylic acid ethyl ester hydrochloride

Work with Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate 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

H-D-Pro-oet hcl131477-20-851 % similar (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid tert-butyl ester oxalate907606-68-251 % similar (R)-Piperidine-3-carboxylic acid ethyl ester hydrochloride37675-19-749 % similar Ethyl pyrrolidine-3-carboxylate hydrochloride80028-44-048 % similar Piperidine-4-carboxylic acid ethyl ester hydrochloride147636-76-847 % similar Ethyl cyclobutanecarboxylate14924-53-946 % similar Ethyl trans-4-hydroxy-L-prolinate hydrochloride33996-30-446 % similar (S)-Alanine ethyl ester hydrochloride1115-59-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-piperidine-1-carboxylic acid tert-butyl ester154874-94-9

Elsewhere

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