4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C15H25NO4 — CID 120673772

IUPAC4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC2CCCCC2O)CC1
InChIInChI=1S/C15H25NO4/c17-13-4-2-1-3-12(13)9-16-14(18)10-5-7-11(8-6-10)15(19)20/h10-13,17H,1-9H2,(H,16,18)(H,19,20)
InChIKeyZHPVFTRYZSOLON-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.54
Rot. Bonds4

About 4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673772) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673772
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC2CCCCC2O)CC1
InChIInChI=1S/C15H25NO4/c17-13-4-2-1-3-12(13)9-16-14(18)10-5-7-11(8-6-10)15(19)20/h10-13,17H,1-9H2,(H,16,18)(H,19,20)
InChIKeyZHPVFTRYZSOLON-UHFFFAOYSA-N
XLogP1.54
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 64912183
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948
N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
CID 64911749
N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 64911747
N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79208729
4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753604
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79002982
N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide
CID 114301412
1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide
CID 111471288

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120673772) is 4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCC2CCCCC2O)CC1.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZHPVFTRYZSOLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c17-13-4-2-1-3-12(13)9-16-14(18)10-5-7-11(8-6-10)15(19)20/h10-13,17H,1-9H2,(H,16,18)(H,19,20).
What are the key properties of 4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).