1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid

C13H13Cl2NO3 — CID 79364499

IUPAC1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NO3/c1-7-9(13(18)19)4-5-16(7)12(17)8-2-3-10(14)11(15)6-8/h2-3,6-7,9H,4-5H2,1H3,(H,18,19)
InChIKeyBZMXQCDENTXCDJ-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.93
Rot. Bonds2

About 1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid

1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79364499) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79364499
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NO3/c1-7-9(13(18)19)4-5-16(7)12(17)8-2-3-10(14)11(15)6-8/h2-3,6-7,9H,4-5H2,1H3,(H,18,19)
InChIKeyBZMXQCDENTXCDJ-UHFFFAOYSA-N
XLogP2.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorobenzoyl)-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

1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363618
1-(3,4-dichlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069840
1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79364373
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
2-methyl-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 79372032
1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363706
2-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79364145
1-(4-chloro-2-hydroxybenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364519
2-methyl-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 79369247
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
(2R,3R)-1-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115846
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79364499) is 1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is BZMXQCDENTXCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c1-7-9(13(18)19)4-5-16(7)12(17)8-2-3-10(14)11(15)6-8/h2-3,6-7,9H,4-5H2,1H3,(H,18,19).
What are the key properties of 1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 302.16 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79364499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).