3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid

C10H12N2O5 — CID 130246061

IUPAC3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H12N2O5/c13-7(11-5-3-10(16)17)4-6-12-8(14)1-2-9(12)15/h1-2H,3-6H2,(H,11,13)(H,16,17)
InChIKeyVTQQXIVWWFCSFB-UHFFFAOYSA-N
MW240.21 g/mol
LogP-1.11
Rot. Bonds6

About 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid

3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid (PubChem CID 130246061) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid
PubChem CID130246061
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H12N2O5/c13-7(11-5-3-10(16)17)4-6-12-8(14)1-2-9(12)15/h1-2H,3-6H2,(H,11,13)(H,16,17)
InChIKeyVTQQXIVWWFCSFB-UHFFFAOYSA-N
XLogP-1.11
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid?
The IUPAC name of 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid (CID 130246061) is 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid?
The canonical SMILES for 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid is O=C(O)CCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid?
The InChIKey is VTQQXIVWWFCSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c13-7(11-5-3-10(16)17)4-6-12-8(14)1-2-9(12)15/h1-2H,3-6H2,(H,11,13)(H,16,17).
What are the key properties of 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid?
3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid has a molecular weight of 240.21 g/mol, XLogP of -1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 130246061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).