4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid

C11H12BrNO2 — CID 114907267

IUPAC4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid
SMILESCC1CC1Nc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C11H12BrNO2/c1-6-4-9(6)13-10-5-7(12)2-3-8(10)11(14)15/h2-3,5-6,9,13H,4H2,1H3,(H,14,15)
InChIKeyDXRKAMLXBJKWET-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.97
Rot. Bonds3

About 4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid

4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid (PubChem CID 114907267) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid
PubChem CID114907267
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid
SMILESCC1CC1Nc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C11H12BrNO2/c1-6-4-9(6)13-10-5-7(12)2-3-8(10)11(14)15/h2-3,5-6,9,13H,4H2,1H3,(H,14,15)
InChIKeyDXRKAMLXBJKWET-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[(2-methylcycloheptyl)amino]benzoic acid
CID 114907423
4-bromo-2-(methylamino)benzoic acid
CID 13384102
4-bromo-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 79181856
4-bromo-2-[(3-methylsulfanylcyclopentyl)amino]benzoic acid
CID 114124329
5-bromo-2-[(2-methylcyclopropyl)amino]benzenecarbothioamide
CID 114891701
5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline
CID 65341327
4-bromo-2-(oxolan-3-ylamino)benzoic acid
CID 114907458
4-bromo-2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 114679432
2-(5-bromo-2-carbamoylanilino)cyclohexane-1-carboxylic acid
CID 114901058
2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62710809
4-bromo-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114423645
4-bromo-2-(2-carboxyanilino)benzoic acid
CID 13257846

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid?
The IUPAC name of 4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid (CID 114907267) is 4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid is CC1CC1Nc1cc(Br)ccc1C(=O)O.
What is the InChIKey of 4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid?
The InChIKey is DXRKAMLXBJKWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-6-4-9(6)13-10-5-7(12)2-3-8(10)11(14)15/h2-3,5-6,9,13H,4H2,1H3,(H,14,15).
What are the key properties of 4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid?
4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid has a molecular weight of 270.13 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid is sourced from PubChem (CID 114907267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).