2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid

C15H20N2O3 — CID 61159058

IUPAC2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)C2(N)CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-10-5-6-12(11(9-10)13(18)19)17-14(20)15(16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyGVZIZADIDQIVTE-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.29
Rot. Bonds3

About 2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid

2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid (PubChem CID 61159058) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
PubChem CID61159058
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)C2(N)CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-10-5-6-12(11(9-10)13(18)19)17-14(20)15(16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyGVZIZADIDQIVTE-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826163
2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid
CID 115411455
1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757304
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 61157387
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63830331
1-amino-N-(2-methyl-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60927272
2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid
CID 81171627
1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119309067

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid (CID 61159058) is 2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)C2(N)CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid?
The InChIKey is GVZIZADIDQIVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-6-12(11(9-10)13(18)19)17-14(20)15(16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid?
2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 61159058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).