4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid

C12H19NO3 — CID 63784542

IUPAC4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCC2)CC1
InChIInChI=1S/C12H19NO3/c14-11(13-10-2-1-3-10)8-4-6-9(7-5-8)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyNOTUBZSICIYSLZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.55
Rot. Bonds3

About 4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid

4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63784542) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63784542
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCC2)CC1
InChIInChI=1S/C12H19NO3/c14-11(13-10-2-1-3-10)8-4-6-9(7-5-8)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyNOTUBZSICIYSLZ-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopentylcyclobutanecarboxamide
CID 21158774
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid
CID 115150956
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807892
acetaldehyde;N-cyclohexylcyclopropanecarboxamide
CID 143959717
N-cyclopropylcycloheptanecarboxamide
CID 62778853

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63784542) is 4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CCC2)CC1.
What is the InChIKey of 4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is NOTUBZSICIYSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(13-10-2-1-3-10)8-4-6-9(7-5-8)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).