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

C11H14N2O4 — CID 43355394

IUPAC2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-8(11(16)17)12-9(14)5-7-13-6-3-2-4-10(13)15/h2-4,6,8H,5,7H2,1H3,(H,12,14)(H,16,17)
InChIKeyCRYBZXNLMHKDDH-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.17
Rot. Bonds5

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

2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid (PubChem CID 43355394) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
PubChem CID43355394
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-8(11(16)17)12-9(14)5-7-13-6-3-2-4-10(13)15/h2-4,6,8H,5,7H2,1H3,(H,12,14)(H,16,17)
InChIKeyCRYBZXNLMHKDDH-UHFFFAOYSA-N
XLogP-0.17
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The IUPAC name of 2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid (CID 43355394) is 2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The canonical SMILES for 2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid is CC(NC(=O)CCn1ccccc1=O)C(=O)O.
What is the InChIKey of 2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The InChIKey is CRYBZXNLMHKDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8(11(16)17)12-9(14)5-7-13-6-3-2-4-10(13)15/h2-4,6,8H,5,7H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid is sourced from PubChem (CID 43355394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).