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

C13H15BrN2O3 — CID 102781629

IUPAC1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Nc2cccc(Br)c2)C1C(=O)O
InChIInChI=1S/C13H15BrN2O3/c1-8-5-6-16(11(8)12(17)18)13(19)15-10-4-2-3-9(14)7-10/h2-4,7-8,11H,5-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyHZWDUTRFHCKWKT-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.78
Rot. Bonds2

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

1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102781629) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102781629
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Nc2cccc(Br)c2)C1C(=O)O
InChIInChI=1S/C13H15BrN2O3/c1-8-5-6-16(11(8)12(17)18)13(19)15-10-4-2-3-9(14)7-10/h2-4,7-8,11H,5-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyHZWDUTRFHCKWKT-UHFFFAOYSA-N
XLogP2.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-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-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102776316
1-[(3-bromophenyl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781965
1-[(3-bromophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61191507
1-[(4-bromophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071248
3-methyl-1-[(3,4,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782533
1-[(3-bromo-4-fluorophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071863
1-[(3-chloro-4-cyanophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781746
2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369992
1-[(4-ethoxyphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781463
N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 141012271
1-[(5-bromo-2-fluorophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071344
1-[(4-bromo-2-chlorophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071299

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102781629) is 1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)Nc2cccc(Br)c2)C1C(=O)O.
What is the InChIKey of 1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is HZWDUTRFHCKWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-8-5-6-16(11(8)12(17)18)13(19)15-10-4-2-3-9(14)7-10/h2-4,7-8,11H,5-6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 327.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102781629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).