2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione

C9H13N3O5 — CID 175430686

IUPAC2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione
SMILESNC(=O)CCC(N)C(=O)O.O=C1C=CC(=O)N1
InChIInChI=1S/C5H10N2O3.C4H3NO2/c6-3(5(9)10)1-2-4(7)8;6-3-1-2-4(7)5-3/h3H,1-2,6H2,(H2,7,8)(H,9,10);1-2H,(H,5,6,7)
InChIKeyHSZHJAPLJCYBRO-UHFFFAOYSA-N
MW243.22 g/mol
LogP-2.14
Rot. Bonds4

About 2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione

2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione (PubChem CID 175430686) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione.

Molecular Properties

Compound Name2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione
PubChem CID175430686
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione
SMILESNC(=O)CCC(N)C(=O)O.O=C1C=CC(=O)N1
InChIInChI=1S/C5H10N2O3.C4H3NO2/c6-3(5(9)10)1-2-4(7)8;6-3-1-2-4(7)5-3/h3H,1-2,6H2,(H2,7,8)(H,9,10);1-2H,(H,5,6,7)
InChIKeyHSZHJAPLJCYBRO-UHFFFAOYSA-N
XLogP-2.14
TPSA152.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione?
The IUPAC name of 2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione (CID 175430686) is 2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione.
What is the SMILES notation for 2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione?
The canonical SMILES for 2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione is NC(=O)CCC(N)C(=O)O.O=C1C=CC(=O)N1.
What is the InChIKey of 2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione?
The InChIKey is HSZHJAPLJCYBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.C4H3NO2/c6-3(5(9)10)1-2-4(7)8;6-3-1-2-4(7)5-3/h3H,1-2,6H2,(H2,7,8)(H,9,10);1-2H,(H,5,6,7).
What are the key properties of 2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione?
2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione has a molecular weight of 243.22 g/mol, XLogP of -2.14, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-5-oxopentanoic acid;pyrrole-2,5-dione is sourced from PubChem (CID 175430686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).