2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid

C13H12N2O5 — CID 3964502

IUPAC2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)C(=O)C1C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C13H12N2O5/c1-6(13(19)20)14-12(18)10(16)9-7-4-2-3-5-8(7)15-11(9)17/h2-6,9H,1H3,(H,14,18)(H,15,17)(H,19,20)
InChIKeyARTYSUSQKLAXHH-UHFFFAOYSA-N
MW276.25 g/mol
LogP-0.12
Rot. Bonds4

About 2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid

2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid (PubChem CID 3964502) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid
PubChem CID3964502
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)C(=O)C1C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C13H12N2O5/c1-6(13(19)20)14-12(18)10(16)9-7-4-2-3-5-8(7)15-11(9)17/h2-6,9H,1H3,(H,14,18)(H,15,17)(H,19,20)
InChIKeyARTYSUSQKLAXHH-UHFFFAOYSA-N
XLogP-0.12
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid (CID 3964502) is 2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid is CC(NC(=O)C(=O)C1C(=O)Nc2ccccc21)C(=O)O.
What is the InChIKey of 2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is ARTYSUSQKLAXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-6(13(19)20)14-12(18)10(16)9-7-4-2-3-5-8(7)15-11(9)17/h2-6,9H,1H3,(H,14,18)(H,15,17)(H,19,20).
What are the key properties of 2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid?
2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 276.25 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 3964502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).