ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate

C10H14N2O3 — CID 119054180

IUPACethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate
SMILESCCOC(=O)CCn1ccc(=O)c(N)c1
InChIInChI=1S/C10H14N2O3/c1-2-15-10(14)4-6-12-5-3-9(13)8(11)7-12/h3,5,7H,2,4,6,11H2,1H3
InChIKeyIVGXMBJUQVDGIZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.38
Rot. Bonds4

About ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate

ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate (PubChem CID 119054180) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate
PubChem CID119054180
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate
SMILESCCOC(=O)CCn1ccc(=O)c(N)c1
InChIInChI=1S/C10H14N2O3/c1-2-15-10(14)4-6-12-5-3-9(13)8(11)7-12/h3,5,7H,2,4,6,11H2,1H3
InChIKeyIVGXMBJUQVDGIZ-UHFFFAOYSA-N
XLogP0.38
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate?
The IUPAC name of ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate (CID 119054180) is ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate?
The canonical SMILES for ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate is CCOC(=O)CCn1ccc(=O)c(N)c1.
What is the InChIKey of ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate?
The InChIKey is IVGXMBJUQVDGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-15-10(14)4-6-12-5-3-9(13)8(11)7-12/h3,5,7H,2,4,6,11H2,1H3.
What are the key properties of ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate?
ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-amino-4-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 119054180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).