2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid

C11H14N2O5 — CID 66166674

IUPAC2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
SMILESO=C(CCn1ccccc1=O)NCC(O)C(=O)O
InChIInChI=1S/C11H14N2O5/c14-8(11(17)18)7-12-9(15)4-6-13-5-2-1-3-10(13)16/h1-3,5,8,14H,4,6-7H2,(H,12,15)(H,17,18)
InChIKeyZGGGMUBLXAOANM-UHFFFAOYSA-N
MW254.24 g/mol
LogP-1.20
Rot. Bonds6

About 2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid

2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid (PubChem CID 66166674) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
PubChem CID66166674
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
SMILESO=C(CCn1ccccc1=O)NCC(O)C(=O)O
InChIInChI=1S/C11H14N2O5/c14-8(11(17)18)7-12-9(15)4-6-13-5-2-1-3-10(13)16/h1-3,5,8,14H,4,6-7H2,(H,12,15)(H,17,18)
InChIKeyZGGGMUBLXAOANM-UHFFFAOYSA-N
XLogP-1.20
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]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-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid (CID 66166674) is 2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid is O=C(CCn1ccccc1=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The InChIKey is ZGGGMUBLXAOANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c14-8(11(17)18)7-12-9(15)4-6-13-5-2-1-3-10(13)16/h1-3,5,8,14H,4,6-7H2,(H,12,15)(H,17,18).
What are the key properties of 2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid has a molecular weight of 254.24 g/mol, XLogP of -1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid is sourced from PubChem (CID 66166674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).