1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid

C15H19NO4 — CID 61293759

IUPAC1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H19NO4/c1-10-4-2-3-9-15(10,14(19)20)16-13(18)11-5-7-12(17)8-6-11/h5-8,10,17H,2-4,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyQJFSNLFSRZUXHV-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.16
Rot. Bonds3

About 1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid

1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 61293759) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID61293759
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H19NO4/c1-10-4-2-3-9-15(10,14(19)20)16-13(18)11-5-7-12(17)8-6-11/h5-8,10,17H,2-4,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyQJFSNLFSRZUXHV-UHFFFAOYSA-N
XLogP2.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 61293759) is 1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)c1ccc(O)cc1)C(=O)O.
What is the InChIKey of 1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is QJFSNLFSRZUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-4-2-3-9-15(10,14(19)20)16-13(18)11-5-7-12(17)8-6-11/h5-8,10,17H,2-4,9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid?
1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61293759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).