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

C16H22N2O3 — CID 107419951

IUPAC4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)NCC1CCCC1C
InChIInChI=1S/C16H22N2O3/c1-10-4-3-5-13(10)9-17-16(21)18-14-8-12(15(19)20)7-6-11(14)2/h6-8,10,13H,3-5,9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyBUMKTCMIQDFYNT-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.25
Rot. Bonds4

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

4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid (PubChem CID 107419951) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid
PubChem CID107419951
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)NCC1CCCC1C
InChIInChI=1S/C16H22N2O3/c1-10-4-3-5-13(10)9-17-16(21)18-14-8-12(15(19)20)7-6-11(14)2/h6-8,10,13H,3-5,9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyBUMKTCMIQDFYNT-UHFFFAOYSA-N
XLogP3.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]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

3-[(2,6-dimethylcyclohexyl)amino]-4-methylbenzoic acid
CID 43727451
5-iodo-2-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107419932
4-(cyclobutylmethylcarbamoylamino)-3-methylbenzoic acid
CID 61198174
4-bromo-3-[(2-methylcyclopropyl)methylcarbamoylamino]benzoic acid
CID 114004016
4-methyl-3-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61198764
4-methyl-3-(2-methylprop-2-enylcarbamoylamino)benzoic acid
CID 114618004
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid
CID 62360558
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylbenzoic acid
CID 61198572
3-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]-4-methylbenzoic acid
CID 874638
3-fluoro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 63511861
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The IUPAC name of 4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid (CID 107419951) is 4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The canonical SMILES for 4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)NCC1CCCC1C.
What is the InChIKey of 4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The InChIKey is BUMKTCMIQDFYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-4-3-5-13(10)9-17-16(21)18-14-8-12(15(19)20)7-6-11(14)2/h6-8,10,13H,3-5,9H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]benzoic acid is sourced from PubChem (CID 107419951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).