4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid

C15H25NO4 — CID 114951146

IUPAC4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1(O)CCCC1)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H25NO4/c1-16(10-15(20)8-2-3-9-15)13(17)11-4-6-12(7-5-11)14(18)19/h11-12,20H,2-10H2,1H3,(H,18,19)
InChIKeyUWWKXOVKFDQIQF-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.64
Rot. Bonds4

About 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 114951146) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID114951146
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1(O)CCCC1)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H25NO4/c1-16(10-15(20)8-2-3-9-15)13(17)11-4-6-12(7-5-11)14(18)19/h11-12,20H,2-10H2,1H3,(H,18,19)
InChIKeyUWWKXOVKFDQIQF-UHFFFAOYSA-N
XLogP1.64
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115760153
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 114949026
N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpiperidine-3-carboxamide
CID 114949603
3-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114948610
N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948903
2-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylcyclohexane-1-carboxamide
CID 114953757
cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide
CID 129344853
(2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
CID 103874332
N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
CID 115759938
4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783865
2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 115760056
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylcyclobutanecarboxamide
CID 156815793

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 114951146) is 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid is CN(CC1(O)CCCC1)C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UWWKXOVKFDQIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-16(10-15(20)8-2-3-9-15)13(17)11-4-6-12(7-5-11)14(18)19/h11-12,20H,2-10H2,1H3,(H,18,19).
What are the key properties of 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114951146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).