5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid

C15H21NO2 — CID 63830331

IUPAC5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid
SMILESCc1ccc(NCC2(C)CCCC2)c(C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-11-5-6-13(12(9-11)14(17)18)16-10-15(2)7-3-4-8-15/h5-6,9,16H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyCGJSWXQNLCGQAN-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.69
Rot. Bonds4

About 5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid

5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid (PubChem CID 63830331) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid
PubChem CID63830331
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid
SMILESCc1ccc(NCC2(C)CCCC2)c(C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-11-5-6-13(12(9-11)14(17)18)16-10-15(2)7-3-4-8-15/h5-6,9,16H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyCGJSWXQNLCGQAN-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methylbenzoic acid
CID 115360531
5-methyl-2-[(1-methylcyclobutyl)methylamino]benzenecarbothioamide
CID 114108061
4-bromo-2-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 114907382
2-[(3-hydroxyoxolan-3-yl)methylamino]-5-methylbenzoic acid
CID 106101904
4-bromo-2-[(1-methylcyclohexyl)methylamino]benzoic acid
CID 114095147
2-methyl-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 81281566
5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826163
5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62514277
3-fluoro-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63831279
2-(cyclobutylmethylamino)-5-methylbenzoic acid
CID 62514472
5-methyl-2-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzamide
CID 114109568
2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid
CID 18802501

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid?
The IUPAC name of 5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid (CID 63830331) is 5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid?
The canonical SMILES for 5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid is Cc1ccc(NCC2(C)CCCC2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid?
The InChIKey is CGJSWXQNLCGQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-6-13(12(9-11)14(17)18)16-10-15(2)7-3-4-8-15/h5-6,9,16H,3-4,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid?
5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid has a molecular weight of 247.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid is sourced from PubChem (CID 63830331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).