2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid

C16H22N2O3 — CID 63279593

IUPAC2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
SMILESCc1cc(NC(=O)NC2CCCC2C)cc(C(=O)O)c1C
InChIInChI=1S/C16H22N2O3/c1-9-5-4-6-14(9)18-16(21)17-12-7-10(2)11(3)13(8-12)15(19)20/h7-9,14H,4-6H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyNGVDGRSRRKFGKN-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.31
Rot. Bonds3

About 2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid

2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid (PubChem CID 63279593) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
PubChem CID63279593
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
SMILESCc1cc(NC(=O)NC2CCCC2C)cc(C(=O)O)c1C
InChIInChI=1S/C16H22N2O3/c1-9-5-4-6-14(9)18-16(21)17-12-7-10(2)11(3)13(8-12)15(19)20/h7-9,14H,4-6H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyNGVDGRSRRKFGKN-UHFFFAOYSA-N
XLogP3.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279678
2,3-dimethyl-5-(oxan-3-ylcarbamoylamino)benzoic acid
CID 63361645
5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279157
2,3-dimethyl-5-(propan-2-ylcarbamoylamino)benzoic acid
CID 63021042
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
2,3-dimethyl-5-(thiane-2-carbonylamino)benzoic acid
CID 80594176
2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63022107
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid
CID 63020173
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
CID 107175434
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid?
The IUPAC name of 2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid (CID 63279593) is 2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid is Cc1cc(NC(=O)NC2CCCC2C)cc(C(=O)O)c1C.
What is the InChIKey of 2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid?
The InChIKey is NGVDGRSRRKFGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9-5-4-6-14(9)18-16(21)17-12-7-10(2)11(3)13(8-12)15(19)20/h7-9,14H,4-6H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid?
2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 63279593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).