methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate

C10H12N2O5 — CID 13032599

IUPACmethyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H12N2O5/c1-17-10(16)7(5-13)12-9(15)6-2-3-8(14)11-4-6/h2-4,7,13H,5H2,1H3,(H,11,14)(H,12,15)
InChIKeyQXXRWYNWJVCNIB-UHFFFAOYSA-N
MW240.21 g/mol
LogP-1.36
Rot. Bonds4

About methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate

methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate (PubChem CID 13032599) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
PubChem CID13032599
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Namemethyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H12N2O5/c1-17-10(16)7(5-13)12-9(15)6-2-3-8(14)11-4-6/h2-4,7,13H,5H2,1H3,(H,11,14)(H,12,15)
InChIKeyQXXRWYNWJVCNIB-UHFFFAOYSA-N
XLogP-1.36
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate (CID 13032599) is methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate is COC(=O)C(CO)NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The InChIKey is QXXRWYNWJVCNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-17-10(16)7(5-13)12-9(15)6-2-3-8(14)11-4-6/h2-4,7,13H,5H2,1H3,(H,11,14)(H,12,15).
What are the key properties of methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate has a molecular weight of 240.21 g/mol, XLogP of -1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 13032599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).