3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid

C15H20N2O4 — CID 62360558

IUPAC3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)NC1CCCCC1O
InChIInChI=1S/C15H20N2O4/c1-9-6-7-10(14(19)20)8-12(9)17-15(21)16-11-4-2-3-5-13(11)18/h6-8,11,13,18H,2-5H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyBODFUNDMGWPVIA-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.12
Rot. Bonds3

About 3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid

3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid (PubChem CID 62360558) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid
PubChem CID62360558
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)NC1CCCCC1O
InChIInChI=1S/C15H20N2O4/c1-9-6-7-10(14(19)20)8-12(9)17-15(21)16-11-4-2-3-5-13(11)18/h6-8,11,13,18H,2-5H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyBODFUNDMGWPVIA-UHFFFAOYSA-N
XLogP2.12
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
4-methyl-3-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61198764
3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61194333
4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61190333
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-4-methylbenzoic acid
CID 61182175
1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea
CID 125140861
3-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]-4-methylbenzoic acid
CID 874638
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]-4-methylbenzoic acid
CID 91646228
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
4-bromo-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 107814156
4-methyl-3-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63663220

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid?
The IUPAC name of 3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid (CID 62360558) is 3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)NC1CCCCC1O.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid?
The InChIKey is BODFUNDMGWPVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-6-7-10(14(19)20)8-12(9)17-15(21)16-11-4-2-3-5-13(11)18/h6-8,11,13,18H,2-5H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid?
3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid is sourced from PubChem (CID 62360558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).