methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate

C9H10N2O4 — CID 54560839

IUPACmethyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H10N2O4/c1-15-8(13)5-11-9(14)6-2-3-10-7(12)4-6/h2-4H,5H2,1H3,(H,10,12)(H,11,14)
InChIKeyICGXYMGXYNRKGH-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.72
Rot. Bonds3

About methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate

methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate (PubChem CID 54560839) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate
PubChem CID54560839
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Namemethyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H10N2O4/c1-15-8(13)5-11-9(14)6-2-3-10-7(12)4-6/h2-4H,5H2,1H3,(H,10,12)(H,11,14)
InChIKeyICGXYMGXYNRKGH-UHFFFAOYSA-N
XLogP-0.72
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate (CID 54560839) is methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate?
The InChIKey is ICGXYMGXYNRKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-15-8(13)5-11-9(14)6-2-3-10-7(12)4-6/h2-4H,5H2,1H3,(H,10,12)(H,11,14).
What are the key properties of methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate?
methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate has a molecular weight of 210.19 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)amino]acetate is sourced from PubChem (CID 54560839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).