4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid

C14H24N2O4 — CID 66265512

IUPAC4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCCC1CCCCN1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-3-10-6-4-5-7-16(10)14(19)15(2)12-9-20-8-11(12)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyJEHQEXOPDDLVAY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds3

About 4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid

4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66265512) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66265512
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCCC1CCCCN1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-3-10-6-4-5-7-16(10)14(19)15(2)12-9-20-8-11(12)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyJEHQEXOPDDLVAY-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66266137
2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
4-[methyl(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265729
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 62637552
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
2-[cyclopentyl-(2-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61195643
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66265733

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid (CID 66265512) is 4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid is CCC1CCCCN1C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is JEHQEXOPDDLVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-10-6-4-5-7-16(10)14(19)15(2)12-9-20-8-11(12)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid?
4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66265512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).