3-(3-bromo-4-carbamoylanilino)propanoic acid

C10H11BrN2O3 — CID 107275324

IUPAC3-(3-bromo-4-carbamoylanilino)propanoic acid
SMILESNC(=O)c1ccc(NCCC(=O)O)cc1Br
InChIInChI=1S/C10H11BrN2O3/c11-8-5-6(13-4-3-9(14)15)1-2-7(8)10(12)16/h1-2,5,13H,3-4H2,(H2,12,16)(H,14,15)
InChIKeyDEUREMWUGSEPMO-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.43
Rot. Bonds5

About 3-(3-bromo-4-carbamoylanilino)propanoic acid

3-(3-bromo-4-carbamoylanilino)propanoic acid (PubChem CID 107275324) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 3-(3-bromo-4-carbamoylanilino)propanoic acid.

Molecular Properties

Compound Name3-(3-bromo-4-carbamoylanilino)propanoic acid
PubChem CID107275324
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name3-(3-bromo-4-carbamoylanilino)propanoic acid
SMILESNC(=O)c1ccc(NCCC(=O)O)cc1Br
InChIInChI=1S/C10H11BrN2O3/c11-8-5-6(13-4-3-9(14)15)1-2-7(8)10(12)16/h1-2,5,13H,3-4H2,(H2,12,16)(H,14,15)
InChIKeyDEUREMWUGSEPMO-UHFFFAOYSA-N
XLogP1.43
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromo-4-carbamoylanilino)propanoic 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

4-(3-bromo-4-carbamoylanilino)-2-methylbutanoic acid
CID 107275586
2-bromo-4-[2-(cyclopropylamino)ethylamino]benzamide
CID 107280649
4-(4-carbamoyl-3-chloroanilino)butanoic acid
CID 62945162
4-[(4-aminophenyl)methylamino]-2-bromobenzamide
CID 107280913
3-(3-bromo-4-carbamothioylanilino)-N-(2-methylpropyl)propanamide
CID 107278080
4-(3-bromo-4-carbamoylanilino)benzoic acid
CID 107275335
5-(2-carboxyethylamino)-2-fluorobenzoic acid
CID 82539644
4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide
CID 107281125
ethyl 3-(3,4-dibromoanilino)propanoate
CID 23052858
4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid
CID 107275398
2-amino-4-[(3-amino-3-oxopropyl)amino]benzoic acid
CID 104500261
2-(3-bromo-4-carbamoylanilino)-3-methylbutanoic acid
CID 107275406

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-carbamoylanilino)propanoic acid?
The IUPAC name of 3-(3-bromo-4-carbamoylanilino)propanoic acid (CID 107275324) is 3-(3-bromo-4-carbamoylanilino)propanoic acid.
What is the SMILES notation for 3-(3-bromo-4-carbamoylanilino)propanoic acid?
The canonical SMILES for 3-(3-bromo-4-carbamoylanilino)propanoic acid is NC(=O)c1ccc(NCCC(=O)O)cc1Br.
What is the InChIKey of 3-(3-bromo-4-carbamoylanilino)propanoic acid?
The InChIKey is DEUREMWUGSEPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-8-5-6(13-4-3-9(14)15)1-2-7(8)10(12)16/h1-2,5,13H,3-4H2,(H2,12,16)(H,14,15).
What are the key properties of 3-(3-bromo-4-carbamoylanilino)propanoic acid?
3-(3-bromo-4-carbamoylanilino)propanoic acid has a molecular weight of 287.11 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-carbamoylanilino)propanoic acid is sourced from PubChem (CID 107275324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).