4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid

C13H22N2O5 — CID 66246319

IUPAC4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NC1CCOCC1)C1COCC1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-2-15(11-8-20-7-10(11)12(16)17)13(18)14-9-3-5-19-6-4-9/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyKDUNDOWIKPHNIN-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.30
Rot. Bonds4

About 4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid

4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66246319) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID66246319
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NC1CCOCC1)C1COCC1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-2-15(11-8-20-7-10(11)12(16)17)13(18)14-9-3-5-19-6-4-9/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyKDUNDOWIKPHNIN-UHFFFAOYSA-N
XLogP0.30
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245153
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
1-cyclopropyl-1-ethyl-3-(oxolan-3-yl)urea
CID 115760678
4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid
CID 66252918
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245936
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 66246519
4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 102699849
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 66246319) is 4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)NC1CCOCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is KDUNDOWIKPHNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-2-15(11-8-20-7-10(11)12(16)17)13(18)14-9-3-5-19-6-4-9/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).