4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

C15H25NO4 — CID 114511623

IUPAC4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCC2CCCOC2)C1
InChIInChI=1S/C15H25NO4/c1-2-10-6-12(13(7-10)15(18)19)14(17)16-8-11-4-3-5-20-9-11/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyZEBMWIZHUHNNOF-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.67
Rot. Bonds5

About 4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114511623) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114511623
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCC2CCCOC2)C1
InChIInChI=1S/C15H25NO4/c1-2-10-6-12(13(7-10)15(18)19)14(17)16-8-11-4-3-5-20-9-11/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyZEBMWIZHUHNNOF-UHFFFAOYSA-N
XLogP1.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 105638501
cis-(1R,2S)-4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 105638505
2-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 105907717
cis-(1R,2S)-2-[2-(2,2-difluoroethoxy)ethylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 105907723
cis-(1R,2S)-2-[2-(2,2-difluoroethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 105907727
cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 106167995
2-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114127105
2-[(2,2-Difluoro-3-hydroxypropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114153016
2-[(2,2-Difluoro-3-hydroxypropyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114153023
cis-(1R,2S)-2-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114153027
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114391022
4-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511832

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114511623) is 4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NCC2CCCOC2)C1.
What is the InChIKey of 4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is ZEBMWIZHUHNNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-2-10-6-12(13(7-10)15(18)19)14(17)16-8-11-4-3-5-20-9-11/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).