2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid

C15H25NO4 — CID 102631714

IUPAC2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCCCC1C(=O)O)C1CCCCC1O
InChIInChI=1S/C15H25NO4/c1-16(12-8-4-5-9-13(12)17)14(18)10-6-2-3-7-11(10)15(19)20/h10-13,17H,2-9H2,1H3,(H,19,20)
InChIKeyGHOBOQDZHBEVJB-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.64
Rot. Bonds3

About 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid

2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 102631714) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID102631714
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCCCC1C(=O)O)C1CCCCC1O
InChIInChI=1S/C15H25NO4/c1-16(12-8-4-5-9-13(12)17)14(18)10-6-2-3-7-11(10)15(19)20/h10-13,17H,2-9H2,1H3,(H,19,20)
InChIKeyGHOBOQDZHBEVJB-UHFFFAOYSA-N
XLogP1.64
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 102631700
2-[cyclohexyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977670
(2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945805
5-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylcyclohexane-1-carboxamide
CID 102637155
2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43579803
(2R)-N-(2-hydroxycyclohexyl)-N-methylpiperidine-2-carboxamide
CID 102631898
N-(2-hydroxycyclohexyl)-N-methyladamantane-2-carboxamide
CID 102635247
2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 3791717
(2S,3R)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-3-phenyloxirane-2-carboxamide
CID 87512927
2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide
CID 102631757
4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
CID 66238217
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 102631714) is 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid is CN(C(=O)C1CCCCC1C(=O)O)C1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GHOBOQDZHBEVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-16(12-8-4-5-9-13(12)17)14(18)10-6-2-3-7-11(10)15(19)20/h10-13,17H,2-9H2,1H3,(H,19,20).
What are the key properties of 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102631714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).