4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid

C14H22N2O4 — CID 106315698

IUPAC4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N1CCC=C(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C14H22N2O4/c1-3-16(12-9-20-8-11(12)13(17)18)14(19)15-6-4-5-10(2)7-15/h5,11-12H,3-4,6-9H2,1-2H3,(H,17,18)
InChIKeyNIOJFDOVMZBYDX-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.18
Rot. Bonds3

About 4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 106315698) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID106315698
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N1CCC=C(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C14H22N2O4/c1-3-16(12-9-20-8-11(12)13(17)18)14(19)15-6-4-5-10(2)7-15/h5,11-12H,3-4,6-9H2,1-2H3,(H,17,18)
InChIKeyNIOJFDOVMZBYDX-UHFFFAOYSA-N
XLogP1.18
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 106316119
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245727
4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962016
4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962926
4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66246021
4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66246337
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 114172275
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66246620

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 106315698) is 4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)N1CCC=C(C)C1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is NIOJFDOVMZBYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-16(12-9-20-8-11(12)13(17)18)14(19)15-6-4-5-10(2)7-15/h5,11-12H,3-4,6-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106315698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).