5-amino-4-oxopentanoic acid;phosphoric acid

C5H12NO7P — CID 24737828

IUPAC5-amino-4-oxopentanoic acid;phosphoric acid
SMILESNCC(=O)CCC(=O)O.O=P(O)(O)O
InChIInChI=1S/C5H9NO3.H3O4P/c6-3-4(7)1-2-5(8)9;1-5(2,3)4/h1-3,6H2,(H,8,9);(H3,1,2,3,4)
InChIKeyXWNWBYZHOAIHTK-UHFFFAOYSA-N
MW229.12 g/mol
LogP-1.55
Rot. Bonds4

About 5-amino-4-oxopentanoic acid;phosphoric acid

5-amino-4-oxopentanoic acid;phosphoric acid (PubChem CID 24737828) has the molecular formula C5H12NO7P and a molecular weight of 229.12 g/mol. Its IUPAC name is 5-amino-4-oxopentanoic acid;phosphoric acid.

Molecular Properties

Compound Name5-amino-4-oxopentanoic acid;phosphoric acid
PubChem CID24737828
Molecular FormulaC5H12NO7P
Molecular Weight229.12 g/mol
Exact Mass229.04
IUPAC Name5-amino-4-oxopentanoic acid;phosphoric acid
SMILESNCC(=O)CCC(=O)O.O=P(O)(O)O
InChIInChI=1S/C5H9NO3.H3O4P/c6-3-4(7)1-2-5(8)9;1-5(2,3)4/h1-3,6H2,(H,8,9);(H3,1,2,3,4)
InChIKeyXWNWBYZHOAIHTK-UHFFFAOYSA-N
XLogP-1.55
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 5-1.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-oxopentanoic acid;phosphoric acid?
The IUPAC name of 5-amino-4-oxopentanoic acid;phosphoric acid (CID 24737828) is 5-amino-4-oxopentanoic acid;phosphoric acid.
What is the SMILES notation for 5-amino-4-oxopentanoic acid;phosphoric acid?
The canonical SMILES for 5-amino-4-oxopentanoic acid;phosphoric acid is NCC(=O)CCC(=O)O.O=P(O)(O)O.
What is the InChIKey of 5-amino-4-oxopentanoic acid;phosphoric acid?
The InChIKey is XWNWBYZHOAIHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.H3O4P/c6-3-4(7)1-2-5(8)9;1-5(2,3)4/h1-3,6H2,(H,8,9);(H3,1,2,3,4).
What are the key properties of 5-amino-4-oxopentanoic acid;phosphoric acid?
5-amino-4-oxopentanoic acid;phosphoric acid has a molecular weight of 229.12 g/mol, XLogP of -1.55, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-oxopentanoic acid;phosphoric acid is sourced from PubChem (CID 24737828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).