2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid

C14H19NO2 — CID 65043898

IUPAC2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid
SMILESCc1c(NC2CCCC2C)cccc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-9-5-3-7-12(9)15-13-8-4-6-11(10(13)2)14(16)17/h4,6,8-9,12,15H,3,5,7H2,1-2H3,(H,16,17)
InChIKeyODVWMUHDEZNHFS-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.29
Rot. Bonds3

About 2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid

2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid (PubChem CID 65043898) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid
PubChem CID65043898
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid
SMILESCc1c(NC2CCCC2C)cccc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-9-5-3-7-12(9)15-13-8-4-6-11(10(13)2)14(16)17/h4,6,8-9,12,15H,3,5,7H2,1-2H3,(H,16,17)
InChIKeyODVWMUHDEZNHFS-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279678
2-amino-3-[(2-methylcyclohexyl)amino]benzoic acid
CID 113332467
2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzoic acid
CID 81320631
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
methyl 2-[(2-methylcyclopentyl)amino]benzoate
CID 65046829
3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylbenzoic acid
CID 105364227
2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043851
3-[(4-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 43737246
2-methyl-3-[(4-propylcycloheptyl)amino]benzoic acid
CID 65086676
3-[(2-methoxycyclohexyl)amino]-2-methylbenzamide
CID 43783378
2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzoic acid
CID 43737247
4-bromo-2-[(2-methylcycloheptyl)amino]benzoic acid
CID 114907423

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid?
The IUPAC name of 2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid (CID 65043898) is 2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid is Cc1c(NC2CCCC2C)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid?
The InChIKey is ODVWMUHDEZNHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-5-3-7-12(9)15-13-8-4-6-11(10(13)2)14(16)17/h4,6,8-9,12,15H,3,5,7H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid?
2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid has a molecular weight of 233.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid is sourced from PubChem (CID 65043898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).