2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

C14H17BrN2O3 — CID 82763308

IUPAC2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C14H17BrN2O3/c1-14(13(19)20)6-2-3-11(14)17-12(18)8-4-5-10(16)9(15)7-8/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyHBGIAFKPWILSPM-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.40
Rot. Bonds3

About 2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763308) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763308
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C14H17BrN2O3/c1-14(13(19)20)6-2-3-11(14)17-12(18)8-4-5-10(16)9(15)7-8/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyHBGIAFKPWILSPM-UHFFFAOYSA-N
XLogP2.40
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-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

2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209773
2-[(4-bromo-3-chlorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83210681
2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759798
2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107702822
2-[(5-bromothiophene-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760095
2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211631
2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760834
2-[(2-bromo-5-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211629
2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760527
2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759945
2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760341
2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82765860

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82763308) is 2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is HBGIAFKPWILSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-14(13(19)20)6-2-3-11(14)17-12(18)8-4-5-10(16)9(15)7-8/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 341.21 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).