[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol

C16H24N2O7 — CID 142505319

IUPAC[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol
SMILESCO.NC(=O)C1=CN(C2CCC(COC(=O)CC(O)C=O)O2)C=CC1
InChIInChI=1S/C15H20N2O6.CH4O/c16-15(21)10-2-1-5-17(7-10)13-4-3-12(23-13)9-22-14(20)6-11(19)8-18;1-2/h1,5,7-8,11-13,19H,2-4,6,9H2,(H2,16,21);2H,1H3
InChIKeyUVGWNJQPUFAMLO-UHFFFAOYSA-N
MW356.38 g/mol
LogP-0.82
Rot. Bonds7

About [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol

[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol (PubChem CID 142505319) has the molecular formula C16H24N2O7 and a molecular weight of 356.38 g/mol. Its IUPAC name is [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol.

Molecular Properties

Compound Name[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol
PubChem CID142505319
Molecular FormulaC16H24N2O7
Molecular Weight356.38 g/mol
Exact Mass356.16
IUPAC Name[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol
SMILESCO.NC(=O)C1=CN(C2CCC(COC(=O)CC(O)C=O)O2)C=CC1
InChIInChI=1S/C15H20N2O6.CH4O/c16-15(21)10-2-1-5-17(7-10)13-4-3-12(23-13)9-22-14(20)6-11(19)8-18;1-2/h1,5,7-8,11-13,19H,2-4,6,9H2,(H2,16,21);2H,1H3
InChIKeyUVGWNJQPUFAMLO-UHFFFAOYSA-N
XLogP-0.82
TPSA139.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol?
The IUPAC name of [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol (CID 142505319) is [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol.
What is the SMILES notation for [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol?
The canonical SMILES for [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol is CO.NC(=O)C1=CN(C2CCC(COC(=O)CC(O)C=O)O2)C=CC1.
What is the InChIKey of [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol?
The InChIKey is UVGWNJQPUFAMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6.CH4O/c16-15(21)10-2-1-5-17(7-10)13-4-3-12(23-13)9-22-14(20)6-11(19)8-18;1-2/h1,5,7-8,11-13,19H,2-4,6,9H2,(H2,16,21);2H,1H3.
What are the key properties of [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol?
[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol has a molecular weight of 356.38 g/mol, XLogP of -0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol is sourced from PubChem (CID 142505319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).