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

C10H13NO3 — CID 131068707

IUPACmethyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate
SMILESCOC(=O)C(C)c1ccn(C)c(=O)c1
InChIInChI=1S/C10H13NO3/c1-7(10(13)14-3)8-4-5-11(2)9(12)6-8/h4-7H,1-3H3
InChIKeyMJFTYLIYOVJMOZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.66
Rot. Bonds2

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

methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate (PubChem CID 131068707) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate
PubChem CID131068707
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate
SMILESCOC(=O)C(C)c1ccn(C)c(=O)c1
InChIInChI=1S/C10H13NO3/c1-7(10(13)14-3)8-4-5-11(2)9(12)6-8/h4-7H,1-3H3
InChIKeyMJFTYLIYOVJMOZ-UHFFFAOYSA-N
XLogP0.66
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate
CID 21412612
methyl 2-(4-aminophenyl)propanoate
CID 3016109
methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
methyl 2-[3-fluoro-4-(1-methyl-5-nitro-2-oxo-3-pyridinyl)phenyl]propanoate
CID 167761634
N-but-3-yn-2-yl-1-methyl-2-oxopyridine-4-carboxamide
CID 104919690
methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate
CID 124640418
methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
methyl 2-(6-bromonaphthalen-2-yl)propanoate
CID 154165948
methyl 2-(3-chloro-4-methylsulfanylphenyl)propanoate
CID 70816255
methyl 2-(3,4-diphenylphenyl)propanoate
CID 139706154

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate?
The IUPAC name of methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate (CID 131068707) is methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate.
What is the SMILES notation for methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate?
The canonical SMILES for methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate is COC(=O)C(C)c1ccn(C)c(=O)c1.
What is the InChIKey of methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate?
The InChIKey is MJFTYLIYOVJMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(10(13)14-3)8-4-5-11(2)9(12)6-8/h4-7H,1-3H3.
What are the key properties of methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate?
methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate has a molecular weight of 195.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methyl-2-oxo-4-pyridinyl)propanoate is sourced from PubChem (CID 131068707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).