cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate

C13H23NO2 — CID 12917208

IUPACcis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C13H23NO2/c1-2-16-13(15)11-7-3-4-8-12(11)14-9-5-6-10-14/h11-12H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeyKVZOYKMGERWRBQ-NWDGAFQWSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds3

About cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate

cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate (PubChem CID 12917208) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate
PubChem CID12917208
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C13H23NO2/c1-2-16-13(15)11-7-3-4-8-12(11)14-9-5-6-10-14/h11-12H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeyKVZOYKMGERWRBQ-NWDGAFQWSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate
CID 156806223
cis-ethyl (1R,2S)-2-[4-[(1R,2R)-2-methylcyclopropanecarbonyl]piperazin-1-yl]cyclohexane-1-carboxylate
CID 124856389
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171
ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate
CID 44558678
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride
CID 21276976
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
CID 12519345
ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
trans-ethyl (1S,2S)-2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 68977191
cis-(1R,2S)-2-ethoxycarbonylcyclohexane-1-carboxylate
CID 71423369
[(1S,2S)-2-ethoxycarbonylcyclohexyl]azanium
CID 6946484

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate (CID 12917208) is cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate is CCOC(=O)[C@H]1CCCC[C@H]1N1CCCC1.
What is the InChIKey of cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate?
The InChIKey is KVZOYKMGERWRBQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-16-13(15)11-7-3-4-8-12(11)14-9-5-6-10-14/h11-12H,2-10H2,1H3/t11-,12+/m0/s1.
What are the key properties of cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate?
cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 12917208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).