5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid

C14H25NO4 — CID 102687792

IUPAC5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCC(CC)CN(CC)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C14H25NO4/c1-4-10(5-2)9-15(6-3)13(16)11-7-8-12(19-11)14(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKeyHEBLMKNFRSONSS-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.90
Rot. Bonds7

About 5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid

5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687792) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102687792
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCC(CC)CN(CC)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C14H25NO4/c1-4-10(5-2)9-15(6-3)13(16)11-7-8-12(19-11)14(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKeyHEBLMKNFRSONSS-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-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

(2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945104
(2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102991739
5-[2-cyanoethyl(ethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688228
5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688222
3-[ethyl(2-ethylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784340
(2R,5S)-5-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944891
(2R,5S)-5-[methyl(2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945287
5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688926
5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688123
N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119727932
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102688026
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid (CID 102687792) is 5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid is CCC(CC)CN(CC)C(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is HEBLMKNFRSONSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-10(5-2)9-15(6-3)13(16)11-7-8-12(19-11)14(17)18/h10-12H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid?
5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).