1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid

C13H18N2O5 — CID 71170107

IUPAC1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid
SMILESCn1c(CNC(=O)OC(C)(C)C)ccc(C(=O)O)c1=O
InChIInChI=1S/C13H18N2O5/c1-13(2,3)20-12(19)14-7-8-5-6-9(11(17)18)10(16)15(8)4/h5-6H,7H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyLKRIVTJWYSAQEQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.11
Rot. Bonds3

About 1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid

1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 71170107) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid
PubChem CID71170107
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid
SMILESCn1c(CNC(=O)OC(C)(C)C)ccc(C(=O)O)c1=O
InChIInChI=1S/C13H18N2O5/c1-13(2,3)20-12(19)14-7-8-5-6-9(11(17)18)10(16)15(8)4/h5-6H,7H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyLKRIVTJWYSAQEQ-UHFFFAOYSA-N
XLogP1.11
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid (CID 71170107) is 1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid is Cn1c(CNC(=O)OC(C)(C)C)ccc(C(=O)O)c1=O.
What is the InChIKey of 1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is LKRIVTJWYSAQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-13(2,3)20-12(19)14-7-8-5-6-9(11(17)18)10(16)15(8)4/h5-6H,7H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid?
1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 71170107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).