ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate

C10H14N2O3 — CID 22437481

IUPACethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate
SMILESCCOC(=O)C(C)n1cccc(N)c1=O
InChIInChI=1S/C10H14N2O3/c1-3-15-10(14)7(2)12-6-4-5-8(11)9(12)13/h4-7H,3,11H2,1-2H3
InChIKeyIAGBBDWFXXAIEL-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.55
Rot. Bonds3

About ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate

ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate (PubChem CID 22437481) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate
PubChem CID22437481
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate
SMILESCCOC(=O)C(C)n1cccc(N)c1=O
InChIInChI=1S/C10H14N2O3/c1-3-15-10(14)7(2)12-6-4-5-8(11)9(12)13/h4-7H,3,11H2,1-2H3
InChIKeyIAGBBDWFXXAIEL-UHFFFAOYSA-N
XLogP0.55
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate 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 ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate?
The IUPAC name of ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate (CID 22437481) is ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate is CCOC(=O)C(C)n1cccc(N)c1=O.
What is the InChIKey of ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate?
The InChIKey is IAGBBDWFXXAIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-15-10(14)7(2)12-6-4-5-8(11)9(12)13/h4-7H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate?
ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-amino-2-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 22437481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).