2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid

C17H31NO3 — CID 103978393

IUPAC2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCCCCN(CCCCC)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C17H31NO3/c1-3-5-7-12-18(13-8-6-4-2)16(19)14-10-9-11-15(14)17(20)21/h14-15H,3-13H2,1-2H3,(H,20,21)
InChIKeyIGLRRRYPRURTBP-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.70
Rot. Bonds10

About 2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid

2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103978393) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103978393
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCCCCN(CCCCC)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C17H31NO3/c1-3-5-7-12-18(13-8-6-4-2)16(19)14-10-9-11-15(14)17(20)21/h14-15H,3-13H2,1-2H3,(H,20,21)
InChIKeyIGLRRRYPRURTBP-UHFFFAOYSA-N
XLogP3.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-N,2-N-dihexadecylcyclohexane-1,2-dicarboxamide
CID 177421877
2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975228
N-(2-amino-2-oxoethyl)-2-hydroxy-N-pentylcyclopentane-1-carboxamide
CID 110026504
(1S,6R)-6-(dibutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 7030737
2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978414
2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978575
2-amino-N-butyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 62782225
2-[pentan-2-yl(pentyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975571
2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103979079
3-(dipentylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 68828286
(1R,2S,3R,4R)-3-(dipentylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124719753
N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide
CID 79388298

Frequently Asked Questions

What is the IUPAC name of 2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103978393) is 2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid is CCCCCN(CCCCC)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is IGLRRRYPRURTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-5-7-12-18(13-8-6-4-2)16(19)14-10-9-11-15(14)17(20)21/h14-15H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 297.44 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).