1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid

C7H12NO8P — CID 175009654

IUPAC1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid
SMILESO=C(O)CCP(=O)(O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C3H7O5P/c6-3-1-2-4(7)5(3)8;4-3(5)1-2-9(6,7)8/h8H,1-2H2;1-2H2,(H,4,5)(H2,6,7,8)
InChIKeyVKYKXSUJCDPIPD-UHFFFAOYSA-N
MW269.15 g/mol
LogP-0.84
Rot. Bonds3

About 1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid

1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid (PubChem CID 175009654) has the molecular formula C7H12NO8P and a molecular weight of 269.15 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid
PubChem CID175009654
Molecular FormulaC7H12NO8P
Molecular Weight269.15 g/mol
Exact Mass269.03
IUPAC Name1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid
SMILESO=C(O)CCP(=O)(O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C3H7O5P/c6-3-1-2-4(7)5(3)8;4-3(5)1-2-9(6,7)8/h8H,1-2H2;1-2H2,(H,4,5)(H2,6,7,8)
InChIKeyVKYKXSUJCDPIPD-UHFFFAOYSA-N
XLogP-0.84
TPSA152.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid (CID 175009654) is 1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid is O=C(O)CCP(=O)(O)O.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid?
The InChIKey is VKYKXSUJCDPIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C3H7O5P/c6-3-1-2-4(7)5(3)8;4-3(5)1-2-9(6,7)8/h8H,1-2H2;1-2H2,(H,4,5)(H2,6,7,8).
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid?
1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid has a molecular weight of 269.15 g/mol, XLogP of -0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid is sourced from PubChem (CID 175009654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).