4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid

C13H21NO3 — CID 114615292

IUPAC4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESC=C(C)CNC(=O)C1CC(CC)CC1C(=O)O
InChIInChI=1S/C13H21NO3/c1-4-9-5-10(11(6-9)13(16)17)12(15)14-7-8(2)3/h9-11H,2,4-7H2,1,3H3,(H,14,15)(H,16,17)
InChIKeyFVVCEPRBDSXOTO-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.82
Rot. Bonds5

About 4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid

4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114615292) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114615292
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESC=C(C)CNC(=O)C1CC(CC)CC1C(=O)O
InChIInChI=1S/C13H21NO3/c1-4-9-5-10(11(6-9)13(16)17)12(15)14-7-8(2)3/h9-11H,2,4-7H2,1,3H3,(H,14,15)(H,16,17)
InChIKeyFVVCEPRBDSXOTO-UHFFFAOYSA-N
XLogP1.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
2-(2-ethoxyethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511477
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114093178
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114512122
2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512158
4-ethyl-2-(2-methylsulfinylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114512108
4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 107416699
cis-(1R,2S)-4-ethyl-2-(2,2,3,3-tetrafluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106290416
4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511716
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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114615292) is 4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid is C=C(C)CNC(=O)C1CC(CC)CC1C(=O)O.
What is the InChIKey of 4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is FVVCEPRBDSXOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-9-5-10(11(6-9)13(16)17)12(15)14-7-8(2)3/h9-11H,2,4-7H2,1,3H3,(H,14,15)(H,16,17).
What are the key properties of 4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid?
4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114615292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).