2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid

C15H20N2O3 — CID 64823038

IUPAC2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)C2CCCCC2N)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-9-6-7-13(11(8-9)15(19)20)17-14(18)10-4-2-3-5-12(10)16/h6-8,10,12H,2-5,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyQPUMFZBJGDMECX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.15
Rot. Bonds3

About 2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid

2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid (PubChem CID 64823038) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
PubChem CID64823038
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)C2CCCCC2N)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-9-6-7-13(11(8-9)15(19)20)17-14(18)10-4-2-3-5-12(10)16/h6-8,10,12H,2-5,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyQPUMFZBJGDMECX-UHFFFAOYSA-N
XLogP2.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic 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

2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide
CID 64822911
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
2-amino-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 64818120
2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64824996
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-5-methylbenzoic acid
CID 98115664
2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 64822060
5-methyl-2-(thiane-4-carbonylamino)benzoic acid
CID 120537831
5-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)benzoic acid
CID 104539531
methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64822923
5-methyl-2-(oxane-3-carbonylamino)benzoic acid
CID 62761030
2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688939

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid (CID 64823038) is 2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)C2CCCCC2N)c(C(=O)O)c1.
What is the InChIKey of 2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid?
The InChIKey is QPUMFZBJGDMECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-6-7-13(11(8-9)15(19)20)17-14(18)10-4-2-3-5-12(10)16/h6-8,10,12H,2-5,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid?
2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 64823038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).