1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid

C14H17BrN2O3 — CID 102785737

IUPAC1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(CC(=O)Nc2ccc(Br)cc2)C1C(=O)O
InChIInChI=1S/C14H17BrN2O3/c1-9-6-7-17(13(9)14(19)20)8-12(18)16-11-4-2-10(15)3-5-11/h2-5,9,13H,6-8H2,1H3,(H,16,18)(H,19,20)
InChIKeySIRRKZFJWHYISQ-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.18
Rot. Bonds4

About 1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid

1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102785737) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102785737
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(CC(=O)Nc2ccc(Br)cc2)C1C(=O)O
InChIInChI=1S/C14H17BrN2O3/c1-9-6-7-17(13(9)14(19)20)8-12(18)16-11-4-2-10(15)3-5-11/h2-5,9,13H,6-8H2,1H3,(H,16,18)(H,19,20)
InChIKeySIRRKZFJWHYISQ-UHFFFAOYSA-N
XLogP2.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-bromoanilino)-2-oxoethyl]-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

N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785701
1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785249
1-[(4-bromophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071248
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(4-bromophenyl)acetamide
CID 103353106
2-(2-acetylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 63844823
2-methyl-1-[2-(4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 79371911
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010278
N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide
CID 95786078
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
1-[2-(4-chloroanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372355
N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
CID 64980676

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102785737) is 1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(CC(=O)Nc2ccc(Br)cc2)C1C(=O)O.
What is the InChIKey of 1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is SIRRKZFJWHYISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-9-6-7-17(13(9)14(19)20)8-12(18)16-11-4-2-10(15)3-5-11/h2-5,9,13H,6-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 341.21 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102785737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).