3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid

C15H18N2O5 — CID 120532705

IUPAC3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C15H18N2O5/c18-13(17-15(14(19)20)5-7-21-9-15)10-4-6-16-12(8-10)22-11-2-1-3-11/h4,6,8,11H,1-3,5,7,9H2,(H,17,18)(H,19,20)
InChIKeyZVABRDSAXMRWFE-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.99
Rot. Bonds5

About 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid

3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 120532705) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID120532705
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C15H18N2O5/c18-13(17-15(14(19)20)5-7-21-9-15)10-4-6-16-12(8-10)22-11-2-1-3-11/h4,6,8,11H,1-3,5,7,9H2,(H,17,18)(H,19,20)
InChIKeyZVABRDSAXMRWFE-UHFFFAOYSA-N
XLogP0.99
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyloxy-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]pyridine-4-carboxamide
CID 126773213
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
(2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467997
(3aS,7aS)-2-(2-cyclobutyloxypyridine-4-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628846
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64888035
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
2-cyclobutyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)pyridine-4-carboxamide
CID 167764748

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid (CID 120532705) is 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1ccnc(OC2CCC2)c1.
What is the InChIKey of 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ZVABRDSAXMRWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c18-13(17-15(14(19)20)5-7-21-9-15)10-4-6-16-12(8-10)22-11-2-1-3-11/h4,6,8,11H,1-3,5,7,9H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 120532705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).