ethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate

C9H12N2O3 — CID 82990578

IUPACethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C9H12N2O3/c1-2-14-9(13)6-11-4-3-8(12)7(10)5-11/h3-5H,2,6,10H2,1H3
InChIKeyQERXJJXTGKAXFX-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.01
Rot. Bonds3

About ethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate

ethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate (PubChem CID 82990578) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate
PubChem CID82990578
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C9H12N2O3/c1-2-14-9(13)6-11-4-3-8(12)7(10)5-11/h3-5H,2,6,10H2,1H3
InChIKeyQERXJJXTGKAXFX-UHFFFAOYSA-N
XLogP-0.01
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate (CID 82990578) is ethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate is CCOC(=O)Cn1ccc(=O)c(N)c1.
What is the InChIKey of ethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
The InChIKey is QERXJJXTGKAXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-14-9(13)6-11-4-3-8(12)7(10)5-11/h3-5H,2,6,10H2,1H3.
What are the key properties of ethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
ethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate has a molecular weight of 196.21 g/mol, XLogP of -0.01, 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-4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 82990578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).