1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid

C14H17ClN2O3 — CID 79382598

IUPAC1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-11(13(18)19)6-7-17(9)14(20)16-8-10-4-2-3-5-12(10)15/h2-5,9,11H,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyQVIMHAATKOGJDZ-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.34
Rot. Bonds3

About 1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid

1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79382598) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79382598
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-11(13(18)19)6-7-17(9)14(20)16-8-10-4-2-3-5-12(10)15/h2-5,9,11H,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyQVIMHAATKOGJDZ-UHFFFAOYSA-N
XLogP2.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-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

(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509931
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
(2R,3R)-1-[(2-chlorophenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124676
(2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841658
1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376864
1-[(2-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782795
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383293
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
(2S)-N-[(2-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)propanamide
CID 9444015
(2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29130506
1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376574

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79382598) is 1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)NCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QVIMHAATKOGJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-11(13(18)19)6-7-17(9)14(20)16-8-10-4-2-3-5-12(10)15/h2-5,9,11H,6-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 296.75 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79382598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).