4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid

C19H24N2O4 — CID 120674455

IUPAC4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C19H24N2O4/c22-17(14-6-8-15(9-7-14)19(24)25)20-16-10-11-21(18(16)23)12-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H,20,22)(H,24,25)
InChIKeyUFLPZYWGEKUCKF-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.79
Rot. Bonds5

About 4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674455) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674455
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C19H24N2O4/c22-17(14-6-8-15(9-7-14)19(24)25)20-16-10-11-21(18(16)23)12-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H,20,22)(H,24,25)
InChIKeyUFLPZYWGEKUCKF-UHFFFAOYSA-N
XLogP1.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid 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

2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
(3S)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 97315046
(3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 97315048
(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide
CID 97315039
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 71936343
cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 95139850
N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 95589689
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide
CID 97222893
N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide
CID 51127250

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120674455) is 4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CCN(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of 4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UFLPZYWGEKUCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17(14-6-8-15(9-7-14)19(24)25)20-16-10-11-21(18(16)23)12-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H,20,22)(H,24,25).
What are the key properties of 4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).