3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid

C15H19NO5 — CID 63043634

IUPAC3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCCC(C(=O)O)C2)c(O)c1
InChIInChI=1S/C15H19NO5/c1-21-11-5-6-12(13(17)8-11)14(18)16-10-4-2-3-9(7-10)15(19)20/h5-6,8-10,17H,2-4,7H2,1H3,(H,16,18)(H,19,20)
InChIKeyUHDJFPATNPWEGI-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.77
Rot. Bonds4

About 3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid

3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63043634) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63043634
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCCC(C(=O)O)C2)c(O)c1
InChIInChI=1S/C15H19NO5/c1-21-11-5-6-12(13(17)8-11)14(18)16-10-4-2-3-9(7-10)15(19)20/h5-6,8-10,17H,2-4,7H2,1H3,(H,16,18)(H,19,20)
InChIKeyUHDJFPATNPWEGI-UHFFFAOYSA-N
XLogP1.77
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60810345
2-hydroxy-4-methoxy-N-(3-methylcyclobutyl)benzamide
CID 115671067
3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013540
2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
CID 43610298
N-(2-aminocyclopropyl)-2-hydroxy-4-methoxybenzamide
CID 43593875
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910
N-(1-ethylpiperidin-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61151217
2-hydroxy-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375174
N-(3,3-dimethylcyclopentyl)-2-hydroxy-4-methoxybenzamide
CID 115881718
3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043293
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (CID 63043634) is 3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is COc1ccc(C(=O)NC2CCCC(C(=O)O)C2)c(O)c1.
What is the InChIKey of 3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UHDJFPATNPWEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-21-11-5-6-12(13(17)8-11)14(18)16-10-4-2-3-9(7-10)15(19)20/h5-6,8-10,17H,2-4,7H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).