4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid

C15H19NO4 — CID 60809354

IUPAC4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccc(CO)cc1
InChIInChI=1S/C15H19NO4/c17-9-10-1-3-11(4-2-10)14(18)16-13-7-5-12(6-8-13)15(19)20/h1-4,12-13,17H,5-9H2,(H,16,18)(H,19,20)
InChIKeyHRGYAHJJNOPBLK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.55
Rot. Bonds4

About 4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid

4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60809354) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60809354
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccc(CO)cc1
InChIInChI=1S/C15H19NO4/c17-9-10-1-3-11(4-2-10)14(18)16-13-7-5-12(6-8-13)15(19)20/h1-4,12-13,17H,5-9H2,(H,16,18)(H,19,20)
InChIKeyHRGYAHJJNOPBLK-UHFFFAOYSA-N
XLogP1.55
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809682
4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 166193453
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
4-benzyl-N-cyclopropylbenzamide
CID 45086871
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808216
cis-(1R,3S)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678421
N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
CID 102851590

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 60809354) is 4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1ccc(CO)cc1.
What is the InChIKey of 4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HRGYAHJJNOPBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-9-10-1-3-11(4-2-10)14(18)16-13-7-5-12(6-8-13)15(19)20/h1-4,12-13,17H,5-9H2,(H,16,18)(H,19,20).
What are the key properties of 4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).