methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate

C9H12N2O3 — CID 18690857

IUPACmethyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1c(C)ccc(N)c1=O
InChIInChI=1S/C9H12N2O3/c1-6-3-4-7(10)9(13)11(6)5-8(12)14-2/h3-4H,5,10H2,1-2H3
InChIKeyMUULMTAXURPNJY-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.09
Rot. Bonds2

About methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate

methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate (PubChem CID 18690857) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate
PubChem CID18690857
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1c(C)ccc(N)c1=O
InChIInChI=1S/C9H12N2O3/c1-6-3-4-7(10)9(13)11(6)5-8(12)14-2/h3-4H,5,10H2,1-2H3
InChIKeyMUULMTAXURPNJY-UHFFFAOYSA-N
XLogP-0.09
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate (CID 18690857) is methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate is COC(=O)Cn1c(C)ccc(N)c1=O.
What is the InChIKey of methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate?
The InChIKey is MUULMTAXURPNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-3-4-7(10)9(13)11(6)5-8(12)14-2/h3-4H,5,10H2,1-2H3.
What are the key properties of methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate?
methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate has a molecular weight of 196.21 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 18690857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).