methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate

C12H16N2O4 — CID 65441441

IUPACmethyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)C(Cn1ccc(C)cc1=O)NC(C)=O
InChIInChI=1S/C12H16N2O4/c1-8-4-5-14(11(16)6-8)7-10(12(17)18-3)13-9(2)15/h4-6,10H,7H2,1-3H3,(H,13,15)
InChIKeyGETWZRCDHMPQRQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.17
Rot. Bonds4

About methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate

methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate (PubChem CID 65441441) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate
PubChem CID65441441
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)C(Cn1ccc(C)cc1=O)NC(C)=O
InChIInChI=1S/C12H16N2O4/c1-8-4-5-14(11(16)6-8)7-10(12(17)18-3)13-9(2)15/h4-6,10H,7H2,1-3H3,(H,13,15)
InChIKeyGETWZRCDHMPQRQ-UHFFFAOYSA-N
XLogP-0.17
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate
CID 65444218
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280
1-(2-aminopropyl)-4-methylpyridin-2-one
CID 62962673
methyl 2-acetamido-3-(3-methylpyrazol-1-yl)propanoate
CID 65442631
methyl 2-acetamido-3-(2-cyanopyrrol-1-yl)propanoate
CID 114650527
1-(3-amino-2-hydroxypropyl)-4-methylpyridin-2-one
CID 62962681
1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one
CID 62962682
methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 65442025
methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate
CID 62960871
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate;2-(4-methyl-2-oxo-1-pyridinyl)acetic acid
CID 160822702
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one
CID 104753235

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate?
The IUPAC name of methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate (CID 65441441) is methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate is COC(=O)C(Cn1ccc(C)cc1=O)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate?
The InChIKey is GETWZRCDHMPQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-4-5-14(11(16)6-8)7-10(12(17)18-3)13-9(2)15/h4-6,10H,7H2,1-3H3,(H,13,15).
What are the key properties of methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate?
methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate has a molecular weight of 252.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 65441441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).