1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid

C15H19BrN2O3 — CID 63146148

IUPAC1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)Nc2ccccc2Br)C1
InChIInChI=1S/C15H19BrN2O3/c1-2-7-15(13(19)20)8-9-18(10-15)14(21)17-12-6-4-3-5-11(12)16/h3-6H,2,7-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyGYIWDPLSOQLLNB-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.56
Rot. Bonds4

About 1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid

1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63146148) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63146148
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)Nc2ccccc2Br)C1
InChIInChI=1S/C15H19BrN2O3/c1-2-7-15(13(19)20)8-9-18(10-15)14(21)17-12-6-4-3-5-11(12)16/h3-6H,2,7-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyGYIWDPLSOQLLNB-UHFFFAOYSA-N
XLogP3.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-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-bromo-5-fluorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107629009
1-(3-bromo-2-fluorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 107949155
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
1-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149020
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[(2-bromophenyl)methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149203
1-(3-phenylprop-2-ynoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145426
3-propyl-1-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145587
1-[2-(3-bromophenyl)acetyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63146140
4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
1-(4-bromo-3-fluorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63146053
1-(5-bromo-2-chlorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145819

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid (CID 63146148) is 1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)Nc2ccccc2Br)C1.
What is the InChIKey of 1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is GYIWDPLSOQLLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-2-7-15(13(19)20)8-9-18(10-15)14(21)17-12-6-4-3-5-11(12)16/h3-6H,2,7-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 355.23 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).