benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate

C19H25NO3 — CID 158443527

IUPACbenzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate
SMILESO=C(C[C@H]1CCC[C@@H](N2CCCC2=O)C1)OCc1ccccc1
InChIInChI=1S/C19H25NO3/c21-18-10-5-11-20(18)17-9-4-8-16(12-17)13-19(22)23-14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2/t16-,17+/m0/s1
InChIKeyQIBZSZPPPNBKQW-DLBZAZTESA-N
MW315.41 g/mol
LogP3.30
Rot. Bonds5

About benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate

benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate (PubChem CID 158443527) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate
PubChem CID158443527
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Namebenzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate
SMILESO=C(C[C@H]1CCC[C@@H](N2CCCC2=O)C1)OCc1ccccc1
InChIInChI=1S/C19H25NO3/c21-18-10-5-11-20(18)17-9-4-8-16(12-17)13-19(22)23-14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2/t16-,17+/m0/s1
InChIKeyQIBZSZPPPNBKQW-DLBZAZTESA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate 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

benzyl 2-[(1S,3R)-3-methylcyclohexyl]acetate
CID 135265580
cis-(1R,3S)-3-(2-oxo-2-phenylmethoxyethyl)cyclohexane-1-carboxylic acid
CID 158241245
benzyl 2-[(1S,3R)-3-acetylcyclohexyl]acetate
CID 158241246
benzyl 2-(4-oxocyclohexyl)acetate
CID 58069819
benzyl 2-cyclohexylacetate;2-methylbenzene-1,3-dicarboxylic acid
CID 174482576
benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate
CID 134957623
tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate
CID 171613468
benzyl 3-(hydroxymethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937282
benzyl 2-(2-oxocyclobutyl)acetate
CID 58062904
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate
CID 42426678
benzyl 3-(sulfanylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937329

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate?
The IUPAC name of benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate (CID 158443527) is benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate.
What is the SMILES notation for benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate?
The canonical SMILES for benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate is O=C(C[C@H]1CCC[C@@H](N2CCCC2=O)C1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate?
The InChIKey is QIBZSZPPPNBKQW-DLBZAZTESA-N. The full InChI is InChI=1S/C19H25NO3/c21-18-10-5-11-20(18)17-9-4-8-16(12-17)13-19(22)23-14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2/t16-,17+/m0/s1.
What are the key properties of benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate?
benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate has a molecular weight of 315.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate is sourced from PubChem (CID 158443527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).