1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid

C4H7O4P — CID 2785398

IUPAC1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid
SMILESO=C(O)C1CP(=O)(O)C1
InChIInChI=1S/C4H7O4P/c5-4(6)3-1-9(7,8)2-3/h3H,1-2H2,(H,5,6)(H,7,8)
InChIKeyHKKHQLGHBDRUIX-UHFFFAOYSA-N
MW150.07 g/mol
LogP-0.03
Rot. Bonds1

About 1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid

1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid (PubChem CID 2785398) has the molecular formula C4H7O4P and a molecular weight of 150.07 g/mol. Its IUPAC name is 1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid
PubChem CID2785398
Molecular FormulaC4H7O4P
Molecular Weight150.07 g/mol
Exact Mass150.01
IUPAC Name1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid
SMILESO=C(O)C1CP(=O)(O)C1
InChIInChI=1S/C4H7O4P/c5-4(6)3-1-9(7,8)2-3/h3H,1-2H2,(H,5,6)(H,7,8)
InChIKeyHKKHQLGHBDRUIX-UHFFFAOYSA-N
XLogP-0.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid?
The IUPAC name of 1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid (CID 2785398) is 1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid.
What is the SMILES notation for 1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid?
The canonical SMILES for 1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid is O=C(O)C1CP(=O)(O)C1.
What is the InChIKey of 1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid?
The InChIKey is HKKHQLGHBDRUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O4P/c5-4(6)3-1-9(7,8)2-3/h3H,1-2H2,(H,5,6)(H,7,8).
What are the key properties of 1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid?
1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid has a molecular weight of 150.07 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-oxo-1lambda5-phosphetane-3-carboxylic acid is sourced from PubChem (CID 2785398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).