2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid

C16H27NO3 — CID 106003676

IUPAC2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCCCC2CCCC2)C1
InChIInChI=1S/C16H27NO3/c1-11-9-13(14(10-11)16(19)20)15(18)17-8-4-7-12-5-2-3-6-12/h11-14H,2-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyIXGARPSLLXTOKH-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.82
Rot. Bonds6

About 2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid

2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 106003676) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID106003676
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCCCC2CCCC2)C1
InChIInChI=1S/C16H27NO3/c1-11-9-13(14(10-11)16(19)20)15(18)17-8-4-7-12-5-2-3-6-12/h11-14H,2-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyIXGARPSLLXTOKH-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 106003697
2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512158
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975015
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
3-cyclohexylpropylcarbamic acid
CID 54479876
2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid
CID 106004248
N-(3-cyclopentylpropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106015861
(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 106003701
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114093176
cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092285

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid (CID 106003676) is 2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NCCCC2CCCC2)C1.
What is the InChIKey of 2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is IXGARPSLLXTOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-11-9-13(14(10-11)16(19)20)15(18)17-8-4-7-12-5-2-3-6-12/h11-14H,2-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 106003676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).