2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid

C14H19NO2 — CID 114541219

IUPAC2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid
SMILESCc1cc(NC2CCC(C)C2)ccc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-9-3-4-11(7-9)15-12-5-6-13(14(16)17)10(2)8-12/h5-6,8-9,11,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyUKCPQNKDTRUXFQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.29
Rot. Bonds3

About 2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid

2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid (PubChem CID 114541219) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid
PubChem CID114541219
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid
SMILESCc1cc(NC2CCC(C)C2)ccc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-9-3-4-11(7-9)15-12-5-6-13(14(16)17)10(2)8-12/h5-6,8-9,11,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyUKCPQNKDTRUXFQ-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

4-[(3,4-dimethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81282708
2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541224
4-[(3-ethylsulfanylcyclopentyl)amino]-2-methylbenzoic acid
CID 114123569
4-[(1,1-dioxothian-4-yl)amino]-2-methylbenzoic acid
CID 81282018
2-methyl-4-(oxolan-3-ylamino)benzoic acid
CID 81281891
4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid
CID 114550813
4-[(1,1-dioxothian-3-yl)amino]-2-methylbenzoic acid
CID 81282203
4-[(3,4-dimethylcyclohexyl)amino]-2-fluorobenzoic acid
CID 115485504
2-bromo-4-[(3,4-dimethylcyclohexyl)amino]benzoic acid
CID 107282136
2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid
CID 103561486
2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995
2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid
CID 81281627

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid?
The IUPAC name of 2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid (CID 114541219) is 2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid is Cc1cc(NC2CCC(C)C2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid?
The InChIKey is UKCPQNKDTRUXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-3-4-11(7-9)15-12-5-6-13(14(16)17)10(2)8-12/h5-6,8-9,11,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid?
2-methyl-4-[(3-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-4-[(3-methylcyclopentyl)amino]benzoic acid is sourced from PubChem (CID 114541219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).