methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate

C11H16N2O3 — CID 82989437

IUPACmethyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C11H16N2O3/c1-11(2,10(15)16-3)7-13-5-4-9(14)8(12)6-13/h4-6H,7,12H2,1-3H3
InChIKeyABIXTMJMMFLYPV-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.63
Rot. Bonds3

About methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate

methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate (PubChem CID 82989437) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate
PubChem CID82989437
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C11H16N2O3/c1-11(2,10(15)16-3)7-13-5-4-9(14)8(12)6-13/h4-6H,7,12H2,1-3H3
InChIKeyABIXTMJMMFLYPV-UHFFFAOYSA-N
XLogP0.63
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2,2-dimethyl-3-(4-oxo-1-pyridinyl)propanoate
CID 79630348
3-(3-Amino-4-oxo-1,4-dihydropyridin-1-yl)propanoic acid
CID 82990263
Methyl 3-(3-amino-4-oxo-1,4-dihydropyridin-1-yl)propanoate
CID 82992101
3-Amino-1-(3-ethoxypropyl)-1,4-dihydropyridin-4-one
CID 82992540
3-(3-Amino-4-oxo-1,4-dihydropyridin-1-yl)-2,2-dimethylpropanoic acid
CID 82994151
3-Amino-1-(3-methoxy-3-methylbutyl)-1,4-dihydropyridin-4-one
CID 103033711
Methyl 3-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate
CID 103961853
3-(3-Amino-4-oxo-4H-pyridin-1-yl)-propionic acid ethyl ester
CID 119054180
3-Amino-1-(3-methoxy-2,2-dimethylpropyl)-1,4-dihydropyridin-4-one
CID 165472125

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate (CID 82989437) is methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cn1ccc(=O)c(N)c1.
What is the InChIKey of methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate?
The InChIKey is ABIXTMJMMFLYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,10(15)16-3)7-13-5-4-9(14)8(12)6-13/h4-6H,7,12H2,1-3H3.
What are the key properties of methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate?
methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate has a molecular weight of 224.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoate is sourced from PubChem (CID 82989437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).