2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid

C13H21NO3 — CID 120975015

IUPAC2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCCC1CCCC1
InChIInChI=1S/C13H21NO3/c15-12(10-5-6-11(10)13(16)17)14-8-7-9-3-1-2-4-9/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyHXPSTMWRKOHGAH-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.79
Rot. Bonds5

About 2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid

2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 120975015) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID120975015
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCCC1CCCC1
InChIInChI=1S/C13H21NO3/c15-12(10-5-6-11(10)13(16)17)14-8-7-9-3-1-2-4-9/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyHXPSTMWRKOHGAH-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106003676
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 106003697
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975213
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
3-(2-cyclohexylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 60919439
2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587
3-amino-N-(2-cyclopentylethyl)cyclopentane-1-carboxamide
CID 66010406
cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid (CID 120975015) is 2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCCC1CCCC1.
What is the InChIKey of 2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is HXPSTMWRKOHGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(10-5-6-11(10)13(16)17)14-8-7-9-3-1-2-4-9/h9-11H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid?
2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).