3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid

C13H21NO3 — CID 63789913

IUPAC3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)NCC2CCC2)C1
InChIInChI=1S/C13H21NO3/c15-12(14-8-9-3-1-4-9)10-5-2-6-11(7-10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyFXVKQRVUVKYGHZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.79
Rot. Bonds4

About 3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid

3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63789913) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63789913
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)NCC2CCC2)C1
InChIInChI=1S/C13H21NO3/c15-12(14-8-9-3-1-4-9)10-5-2-6-11(7-10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyFXVKQRVUVKYGHZ-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
3-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550051
3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 62808717
N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
CID 106132228
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
3-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55236170
3-amino-N-[(4-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 106135746
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
(3S)-3-(methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54034306

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63789913) is 3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)NCC2CCC2)C1.
What is the InChIKey of 3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is FXVKQRVUVKYGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(14-8-9-3-1-4-9)10-5-2-6-11(7-10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63789913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).