chempirical

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

C10H18ClNO2CAS 1147103-42-1219.71 g/mol

Open in Covalent MOL file
OOHNHCl
EsterSecondary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
S, S, Rin SMILES atom order

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 Ethyl cyclobutanecarboxylate14924-53-946 % similar Hydroxyproline ethyl ester hydrochloride33996-30-446 % similar (S)-Alanine ethyl ester hydrochloride1115-59-945 % similar DL-α-Alanine ethyl ester hydrochloride617-27-645 % similar Ethyl 2-piperidinecarboxylate15862-72-343 % similar Ethyl 2-piperidinecarboxylate35677-84-043 % similar

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

Elsewhere

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