2-methyl-3-(2-methylpentylamino)benzoic acid

C14H21NO2 — CID 43737198

IUPAC2-methyl-3-(2-methylpentylamino)benzoic acid
SMILESCCCC(C)CNc1cccc(C(=O)O)c1C
InChIInChI=1S/C14H21NO2/c1-4-6-10(2)9-15-13-8-5-7-12(11(13)3)14(16)17/h5,7-8,10,15H,4,6,9H2,1-3H3,(H,16,17)
InChIKeyNLJHKVRQQHQWLT-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.54
Rot. Bonds6

About 2-methyl-3-(2-methylpentylamino)benzoic acid

2-methyl-3-(2-methylpentylamino)benzoic acid (PubChem CID 43737198) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpentylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylpentylamino)benzoic acid
PubChem CID43737198
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methyl-3-(2-methylpentylamino)benzoic acid
SMILESCCCC(C)CNc1cccc(C(=O)O)c1C
InChIInChI=1S/C14H21NO2/c1-4-6-10(2)9-15-13-8-5-7-12(11(13)3)14(16)17/h5,7-8,10,15H,4,6,9H2,1-3H3,(H,16,17)
InChIKeyNLJHKVRQQHQWLT-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(2-methylpentylamino)benzoic 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-methyl-3-(pentylamino)benzoic acid
CID 43737202
N,2-dimethyl-3-(2-methylbutylamino)benzamide
CID 43734491
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methylbenzoic acid
CID 81413532
3-(hexan-2-ylcarbamoylamino)-2-methylbenzoic acid
CID 62947766
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
CID 6458658
3-[(4-hydroxy-2-methylbutyl)sulfamoyl]-2-methylbenzoic acid
CID 66091996
2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid
CID 43737323
3-(2,2-dimethylbutanoylamino)-2-methylbenzoic acid
CID 62947405
2-methyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 60842887
3-[[3-(difluoromethyl)phenyl]methylamino]-2-methylbenzoic acid
CID 115526266
2-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834812
3-(2-carboxypropanoylamino)-2-methylbenzoic acid
CID 114898046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpentylamino)benzoic acid?
The IUPAC name of 2-methyl-3-(2-methylpentylamino)benzoic acid (CID 43737198) is 2-methyl-3-(2-methylpentylamino)benzoic acid.
What is the SMILES notation for 2-methyl-3-(2-methylpentylamino)benzoic acid?
The canonical SMILES for 2-methyl-3-(2-methylpentylamino)benzoic acid is CCCC(C)CNc1cccc(C(=O)O)c1C.
What is the InChIKey of 2-methyl-3-(2-methylpentylamino)benzoic acid?
The InChIKey is NLJHKVRQQHQWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-6-10(2)9-15-13-8-5-7-12(11(13)3)14(16)17/h5,7-8,10,15H,4,6,9H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-(2-methylpentylamino)benzoic acid?
2-methyl-3-(2-methylpentylamino)benzoic acid has a molecular weight of 235.33 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpentylamino)benzoic acid is sourced from PubChem (CID 43737198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).