2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid

C10H12N2O5 — CID 82056104

IUPAC2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1cccc(OCC(N)=O)c1=O
InChIInChI=1S/C10H12N2O5/c1-6(10(15)16)12-4-2-3-7(9(12)14)17-5-8(11)13/h2-4,6H,5H2,1H3,(H2,11,13)(H,15,16)
InChIKeyRLNSQLOZDDGGKU-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.64
Rot. Bonds5

About 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid

2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid (PubChem CID 82056104) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid
PubChem CID82056104
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1cccc(OCC(N)=O)c1=O
InChIInChI=1S/C10H12N2O5/c1-6(10(15)16)12-4-2-3-7(9(12)14)17-5-8(11)13/h2-4,6H,5H2,1H3,(H2,11,13)(H,15,16)
InChIKeyRLNSQLOZDDGGKU-UHFFFAOYSA-N
XLogP-0.64
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid 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 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid (CID 82056104) is 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid is CC(C(=O)O)n1cccc(OCC(N)=O)c1=O.
What is the InChIKey of 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid?
The InChIKey is RLNSQLOZDDGGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-6(10(15)16)12-4-2-3-7(9(12)14)17-5-8(11)13/h2-4,6H,5H2,1H3,(H2,11,13)(H,15,16).
What are the key properties of 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid?
2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid has a molecular weight of 240.22 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 82056104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).