ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate

C10H12N2O4 — CID 47257317

IUPACethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H12N2O4/c1-2-16-8(13)6-12-10(15)7-4-3-5-11-9(7)14/h3-5H,2,6H2,1H3,(H,11,14)(H,12,15)
InChIKeyIQNVKNROWPZVTP-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.33
Rot. Bonds4

About ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate

ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate (PubChem CID 47257317) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate
PubChem CID47257317
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Nameethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H12N2O4/c1-2-16-8(13)6-12-10(15)7-4-3-5-11-9(7)14/h3-5H,2,6H2,1H3,(H,11,14)(H,12,15)
InChIKeyIQNVKNROWPZVTP-UHFFFAOYSA-N
XLogP-0.33
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate (CID 47257317) is ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc[nH]c1=O.
What is the InChIKey of ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The InChIKey is IQNVKNROWPZVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-16-8(13)6-12-10(15)7-4-3-5-11-9(7)14/h3-5H,2,6H2,1H3,(H,11,14)(H,12,15).
What are the key properties of ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate has a molecular weight of 224.22 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 47257317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).