3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid

C13H23NO4 — CID 114129707

IUPAC3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCOCCCCCNC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-18-8-4-2-3-7-14-12(15)10-5-6-11(9-10)13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyYCLHBCMRLJKNFI-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.42
Rot. Bonds8

About 3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid

3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114129707) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114129707
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCOCCCCCNC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-18-8-4-2-3-7-14-12(15)10-5-6-11(9-10)13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyYCLHBCMRLJKNFI-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(Heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid
CID 10268907
rac-(1R,3S)-3-((((tert-butoxy)carbonyl)amino)methyl)cyclopentane-1-carboxylic acid
CID 69849192
cis-3-[(Tert-butoxycarbonylamino)methyl]cyclopentanecarboxylic acid
CID 58009915
3-(2,2,2-Trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549869
3-(3,3,3-Trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550729
3-(2,2-Difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551037
3-(5,5,5-Trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551039
3-(4,4,4-Trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551040
cis-(1S,3R)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105632687
cis-(1S,3R)-3-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105638193
cis-(1S,3R)-3-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105640457
cis-(1S,3R)-3-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105640478

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114129707) is 3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid is COCCCCCNC(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is YCLHBCMRLJKNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-18-8-4-2-3-7-14-12(15)10-5-6-11(9-10)13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114129707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).