ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate

C10H16N2O3 — CID 69124032

IUPACethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate
SMILESCCOC(=O)CC1=C(C)CCN(N)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-15-9(13)6-8-7(2)4-5-12(11)10(8)14/h3-6,11H2,1-2H3
InChIKeyVIBJUGHPDTWYOP-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.36
Rot. Bonds3

About ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate

ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate (PubChem CID 69124032) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate
PubChem CID69124032
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate
SMILESCCOC(=O)CC1=C(C)CCN(N)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-15-9(13)6-8-7(2)4-5-12(11)10(8)14/h3-6,11H2,1-2H3
InChIKeyVIBJUGHPDTWYOP-UHFFFAOYSA-N
XLogP0.36
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

(4-Methyl-1-nitroso-2-oxo-1,2,5,6-tetrahydropyridin-3-yl)acetic acid ethyl ester
CID 86612306
2-(1-Amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid
CID 141116671
2-(1-Amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate
CID 142693441
2-(4-Methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate
CID 142693443
(3-Hydroxy-5-methyl-1-propyl-1H-pyrazol-4-yl)-acetic acid ethyl ester
CID 119053561
(3-Hydroxy-1-isobutyl-5-methyl-1H-pyrazol-4-yl)-acetic acid ethyl ester
CID 119053563
Ethyl 2-[5-methyl-3-oxo-2-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]acetate
CID 125102584
Ethyl 2-(2-ethyl-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetate
CID 125452760

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate?
The IUPAC name of ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate (CID 69124032) is ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate?
The canonical SMILES for ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate is CCOC(=O)CC1=C(C)CCN(N)C1=O.
What is the InChIKey of ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate?
The InChIKey is VIBJUGHPDTWYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-15-9(13)6-8-7(2)4-5-12(11)10(8)14/h3-6,11H2,1-2H3.
What are the key properties of ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate?
ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate has a molecular weight of 212.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetate is sourced from PubChem (CID 69124032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).