4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid

C15H19NO4 — CID 107737513

IUPAC4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCC(C(=O)O)CC1)c1cccc(O)c1
InChIInChI=1S/C15H19NO4/c1-16(12-3-2-4-13(17)9-12)14(18)10-5-7-11(8-6-10)15(19)20/h2-4,9-11,17H,5-8H2,1H3,(H,19,20)
InChIKeyVQSFULIBZVDNSC-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.25
Rot. Bonds3

About 4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 107737513) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID107737513
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCC(C(=O)O)CC1)c1cccc(O)c1
InChIInChI=1S/C15H19NO4/c1-16(12-3-2-4-13(17)9-12)14(18)10-5-7-11(8-6-10)15(19)20/h2-4,9-11,17H,5-8H2,1H3,(H,19,20)
InChIKeyVQSFULIBZVDNSC-UHFFFAOYSA-N
XLogP2.25
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
4-[methyl-(3-methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674140
5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 107734002
(1S,6R)-6-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 107734001
3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550637
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide
CID 107734641
1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 107737239
4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165543
3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783681
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 107737513) is 4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid is CN(C(=O)C1CCC(C(=O)O)CC1)c1cccc(O)c1.
What is the InChIKey of 4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is VQSFULIBZVDNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16(12-3-2-4-13(17)9-12)14(18)10-5-7-11(8-6-10)15(19)20/h2-4,9-11,17H,5-8H2,1H3,(H,19,20).
What are the key properties of 4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107737513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).