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

C11H14N2O4 — CID 43354876

IUPAC3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)CCn1ccccc1=O
InChIInChI=1S/C11H14N2O4/c14-9(12-6-4-11(16)17)5-8-13-7-2-1-3-10(13)15/h1-3,7H,4-6,8H2,(H,12,14)(H,16,17)
InChIKeyVRSDWSDMWKAHPM-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.17
Rot. Bonds6

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

3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid (PubChem CID 43354876) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
PubChem CID43354876
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)CCn1ccccc1=O
InChIInChI=1S/C11H14N2O4/c14-9(12-6-4-11(16)17)5-8-13-7-2-1-3-10(13)15/h1-3,7H,4-6,8H2,(H,12,14)(H,16,17)
InChIKeyVRSDWSDMWKAHPM-UHFFFAOYSA-N
XLogP-0.17
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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 3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The IUPAC name of 3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid (CID 43354876) is 3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The canonical SMILES for 3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid is O=C(O)CCNC(=O)CCn1ccccc1=O.
What is the InChIKey of 3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The InChIKey is VRSDWSDMWKAHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-9(12-6-4-11(16)17)5-8-13-7-2-1-3-10(13)15/h1-3,7H,4-6,8H2,(H,12,14)(H,16,17).
What are the key properties of 3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid is sourced from PubChem (CID 43354876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).