1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid

C15H19NO6 — CID 170776008

IUPAC1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)c1cn(C2CC(O)C2)c(=O)cc1C(=O)O
InChIInChI=1S/C15H19NO6/c1-15(2,3)22-14(21)11-7-16(8-4-9(17)5-8)12(18)6-10(11)13(19)20/h6-9,17H,4-5H2,1-3H3,(H,19,20)
InChIKeyMHPVSWVIVMZBJA-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.20
Rot. Bonds3

About 1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid

1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 170776008) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid
PubChem CID170776008
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)c1cn(C2CC(O)C2)c(=O)cc1C(=O)O
InChIInChI=1S/C15H19NO6/c1-15(2,3)22-14(21)11-7-16(8-4-9(17)5-8)12(18)6-10(11)13(19)20/h6-9,17H,4-5H2,1-3H3,(H,19,20)
InChIKeyMHPVSWVIVMZBJA-UHFFFAOYSA-N
XLogP1.20
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid (CID 170776008) is 1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid is CC(C)(C)OC(=O)c1cn(C2CC(O)C2)c(=O)cc1C(=O)O.
What is the InChIKey of 1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is MHPVSWVIVMZBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6/c1-15(2,3)22-14(21)11-7-16(8-4-9(17)5-8)12(18)6-10(11)13(19)20/h6-9,17H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid?
1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxycyclobutyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 170776008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).