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

C13H23NO3 — CID 114511327

IUPAC4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCC(C)C)C1
InChIInChI=1S/C13H23NO3/c1-4-9-5-10(11(6-9)13(16)17)12(15)14-7-8(2)3/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyFETRVTNCXLZNIJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.90
Rot. Bonds5

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

4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114511327) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114511327
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCC(C)C)C1
InChIInChI=1S/C13H23NO3/c1-4-9-5-10(11(6-9)13(16)17)12(15)14-7-8(2)3/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyFETRVTNCXLZNIJ-UHFFFAOYSA-N
XLogP1.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-((Butylamino)carbonyl)cyclohexanecarboxylic acid
CID 4413147
Cis-2-(2-Mercapto-ethylcarbamoyl)-cyclopentanecarboxylic acid
CID 44375301
1-{[(Propan-2-yl)carbamoyl]methyl}cyclopentane-1-carboxylic acid
CID 2474304
2-(Cyclopentylcarbamoyl)cyclohexanecarboxylic acid
CID 2933637
2-Isobutylcarbamoyl-cyclohexanecarboxylic acid
CID 3133162
2-(Hexylcarbamoyl)cyclohexane-1-carboxylic acid
CID 350696
2-[(3,3,3-Trifluoropropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 65897996
2-[(Trifluoroacetamido)methyl]cyclopentane-1-carboxylic acid
CID 65897997
2-[(4,4,4-Trifluorobutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 65898953
2-[[(2,2-Difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103513352
2-(2,2,2-Trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977876
2-(3,3,3-Trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978759

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114511327) is 4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NCC(C)C)C1.
What is the InChIKey of 4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is FETRVTNCXLZNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-9-5-10(11(6-9)13(16)17)12(15)14-7-8(2)3/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.90, 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-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).