4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid

C13H16N2O5 — CID 66246419

IUPAC4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1cncc(O)c1)C1COCC1C(=O)O
InChIInChI=1S/C13H16N2O5/c1-2-15(11-7-20-6-10(11)13(18)19)12(17)8-3-9(16)5-14-4-8/h3-5,10-11,16H,2,6-7H2,1H3,(H,18,19)
InChIKeyLFEWQWYIGXPMOT-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.35
Rot. Bonds4

About 4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66246419) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66246419
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1cncc(O)c1)C1COCC1C(=O)O
InChIInChI=1S/C13H16N2O5/c1-2-15(11-7-20-6-10(11)13(18)19)12(17)8-3-9(16)5-14-4-8/h3-5,10-11,16H,2,6-7H2,1H3,(H,18,19)
InChIKeyLFEWQWYIGXPMOT-UHFFFAOYSA-N
XLogP0.35
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl-(5-methylpyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245826
4-[(3,4-dihydroxybenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107728145
4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66246233
4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66245647
N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 66181905
4-[(4-bromo-3-chlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 81290208
4-[(3-chloro-4-fluorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 82872449
4-[(3-bromo-4-chlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107997975
4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66246620
4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245241
4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247016
4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66245238

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 66246419) is 4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)c1cncc(O)c1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is LFEWQWYIGXPMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-15(11-7-20-6-10(11)13(18)19)12(17)8-3-9(16)5-14-4-8/h3-5,10-11,16H,2,6-7H2,1H3,(H,18,19).
What are the key properties of 4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).