1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

C17H22N2O3S — CID 122075791

IUPAC1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccccc2SC2CCCC2)C1
InChIInChI=1S/C17H22N2O3S/c20-16(21)12-9-10-19(11-12)17(22)18-14-7-3-4-8-15(14)23-13-5-1-2-6-13/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H,18,22)(H,20,21)
InChIKeyJLBWKGIVXPQZNP-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.66
Rot. Bonds4

About 1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122075791) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122075791
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccccc2SC2CCCC2)C1
InChIInChI=1S/C17H22N2O3S/c20-16(21)12-9-10-19(11-12)17(22)18-14-7-3-4-8-15(14)23-13-5-1-2-6-13/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H,18,22)(H,20,21)
InChIKeyJLBWKGIVXPQZNP-UHFFFAOYSA-N
XLogP3.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-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

(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
CID 172908594
4-benzoyl-N-(2-cyclopentylsulfanylphenyl)-1,4-diazepane-1-carboxamide
CID 112825876
1-[(2-cyclopentylsulfanylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075784
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879
1-[[2-(1-cyanopropan-2-ylsulfanyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079849
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
1-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031385
N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 32559066
1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
CID 32559647
(3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97212512
N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 32559552
2-[(2-cyclopentylsulfanylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941402

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122075791) is 1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccccc2SC2CCCC2)C1.
What is the InChIKey of 1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JLBWKGIVXPQZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c20-16(21)12-9-10-19(11-12)17(22)18-14-7-3-4-8-15(14)23-13-5-1-2-6-13/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H,18,22)(H,20,21).
What are the key properties of 1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 334.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122075791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).