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

C9H12N2O3 — CID 10035571

IUPACethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1cccc(N)c1=O
InChIInChI=1S/C9H12N2O3/c1-2-14-8(12)6-11-5-3-4-7(10)9(11)13/h3-5H,2,6,10H2,1H3
InChIKeyBQWBDOJVEUYSPH-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.01
Rot. Bonds3

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

ethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 10035571) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate
PubChem CID10035571
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1cccc(N)c1=O
InChIInChI=1S/C9H12N2O3/c1-2-14-8(12)6-11-5-3-4-7(10)9(11)13/h3-5H,2,6,10H2,1H3
InChIKeyBQWBDOJVEUYSPH-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

Analyze ethyl 2-(3-amino-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

Related Compounds

Ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate
CID 10444200
Methyl (3-amino-2-oxopyridin-1(2H)-yl)acetate
CID 18690858
Methyl 2-(5-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate
CID 20117853
5-Amino-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one
CID 20117994
Methyl 2-(5-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate hydrochloride
CID 154581369
Ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate
CID 45271635
(3-Amino-2-oxopyridin-1(2H)-yl)acetic acid
CID 18469040
3-Amino-1-(tert-butoxycarbonylmethyl)-2-pyridinone
CID 4456265
2-(3-Amino-2-oxo-1,2-dihydropyridin-1-yl)acetic acid hydrochloride
CID 71757205
Ethyl (3-nitro-2-oxopyridin-1(2H)-yl)acetate
CID 10059570
[2-(3-Amino-2-oxo-1-pyridinyl)acetyl] 2,2,2-trifluoroacetate
CID 87152487
3-Amino-5-fluoro-1-(2-methoxyethyl)pyridin-2-one
CID 118155161

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate (CID 10035571) is ethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate is CCOC(=O)Cn1cccc(N)c1=O.
What is the InChIKey of ethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is BQWBDOJVEUYSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-14-8(12)6-11-5-3-4-7(10)9(11)13/h3-5H,2,6,10H2,1H3.
What are the key properties of ethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate?
ethyl 2-(3-amino-2-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-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 10035571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).