3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid

C13H23NO3 — CID 103550480

IUPAC3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC(C)CCCNC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-9(2)4-3-7-14-12(15)10-5-6-11(8-10)13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGMDWFAFBQLSLGU-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.04
Rot. Bonds6

About 3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid

3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103550480) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103550480
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC(C)CCCNC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-9(2)4-3-7-14-12(15)10-5-6-11(8-10)13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGMDWFAFBQLSLGU-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.04
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

4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708
3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818268
3-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55236170
3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 115161643
3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62781322
3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114129707
N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927132
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551301
3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114174954
4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide
CID 115151450
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103550480) is 3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid is CC(C)CCCNC(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is GMDWFAFBQLSLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)4-3-7-14-12(15)10-5-6-11(8-10)13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).