methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate

C10H12N2O4 — CID 103337065

IUPACmethyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C10H12N2O4/c1-16-9(14)3-5-12-10(15)7-6-11-4-2-8(7)13/h2,4,6H,3,5H2,1H3,(H,11,13)(H,12,15)
InChIKeyTXPYKPSNESHXIL-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.33
Rot. Bonds4

About methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate

methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate (PubChem CID 103337065) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
PubChem CID103337065
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C10H12N2O4/c1-16-9(14)3-5-12-10(15)7-6-11-4-2-8(7)13/h2,4,6H,3,5H2,1H3,(H,11,13)(H,12,15)
InChIKeyTXPYKPSNESHXIL-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 methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate (CID 103337065) is methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The InChIKey is TXPYKPSNESHXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-16-9(14)3-5-12-10(15)7-6-11-4-2-8(7)13/h2,4,6H,3,5H2,1H3,(H,11,13)(H,12,15).
What are the key properties of methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate 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 methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 103337065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).