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

C11H14N2O4 — CID 54980402

IUPACmethyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H14N2O4/c1-13(6-5-10(15)17-2)11(16)8-3-4-9(14)12-7-8/h3-4,7H,5-6H2,1-2H3,(H,12,14)
InChIKeyPTBYIYKURRGHEE-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.01
Rot. Bonds4

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

methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate (PubChem CID 54980402) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
PubChem CID54980402
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H14N2O4/c1-13(6-5-10(15)17-2)11(16)8-3-4-9(14)12-7-8/h3-4,7H,5-6H2,1-2H3,(H,12,14)
InChIKeyPTBYIYKURRGHEE-UHFFFAOYSA-N
XLogP0.01
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 60989966
methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
CID 54980118
N-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
CID 79036748
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 4803573
methyl 3-[(3-fluoro-4-methylbenzoyl)-methylamino]propanoate
CID 54979810
methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate
CID 61031076
methyl 3-[(3-chloro-4-methylbenzoyl)-methylamino]propanoate
CID 63195175
methyl 3-[[4-(difluoromethoxy)benzoyl]-methylamino]propanoate
CID 61032347
methyl 3-[(4-chloro-3-methylbenzoyl)-methylamino]propanoate
CID 112699249
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186
methyl 4-[[4-(hydroxymethyl)benzoyl]-methylamino]butanoate
CID 55006062
3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 54898737

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate (CID 54980402) is methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate is COC(=O)CCN(C)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The InChIKey is PTBYIYKURRGHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-13(6-5-10(15)17-2)11(16)8-3-4-9(14)12-7-8/h3-4,7H,5-6H2,1-2H3,(H,12,14).
What are the key properties of methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate has a molecular weight of 238.24 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 54980402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).