4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid

C14H25NO4 — CID 114511716

IUPAC4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCCCCOC)C1
InChIInChI=1S/C14H25NO4/c1-3-10-8-11(12(9-10)14(17)18)13(16)15-6-4-5-7-19-2/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHYEGMDBPGICAOT-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.67
Rot. Bonds8

About 4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid

4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114511716) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114511716
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCCCCOC)C1
InChIInChI=1S/C14H25NO4/c1-3-10-8-11(12(9-10)14(17)18)13(16)15-6-4-5-7-19-2/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHYEGMDBPGICAOT-UHFFFAOYSA-N
XLogP1.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.67
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

4-ethyl-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511517
2-(2-ethoxyethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511477
2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512158
cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106120354
cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 106003697
3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114129707
4-ethyl-2-(2-methylsulfinylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114512108
2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974582
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114511716) is 4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NCCCCOC)C1.
What is the InChIKey of 4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is HYEGMDBPGICAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-10-8-11(12(9-10)14(17)18)13(16)15-6-4-5-7-19-2/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid?
4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).