5-oxo-4-phosphanylmorpholine-3-carboxylic acid

C5H8NO4P — CID 20828180

IUPAC5-oxo-4-phosphanylmorpholine-3-carboxylic acid
SMILESO=C(O)C1COCC(=O)N1P
InChIInChI=1S/C5H8NO4P/c7-4-2-10-1-3(5(8)9)6(4)11/h3H,1-2,11H2,(H,8,9)
InChIKeyVVRLCHFPDYARPR-UHFFFAOYSA-N
MW177.10 g/mol
LogP-0.91
Rot. Bonds1

About 5-oxo-4-phosphanylmorpholine-3-carboxylic acid

5-oxo-4-phosphanylmorpholine-3-carboxylic acid (PubChem CID 20828180) has the molecular formula C5H8NO4P and a molecular weight of 177.10 g/mol. Its IUPAC name is 5-oxo-4-phosphanylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-phosphanylmorpholine-3-carboxylic acid
PubChem CID20828180
Molecular FormulaC5H8NO4P
Molecular Weight177.10 g/mol
Exact Mass177.02
IUPAC Name5-oxo-4-phosphanylmorpholine-3-carboxylic acid
SMILESO=C(O)C1COCC(=O)N1P
InChIInChI=1S/C5H8NO4P/c7-4-2-10-1-3(5(8)9)6(4)11/h3H,1-2,11H2,(H,8,9)
InChIKeyVVRLCHFPDYARPR-UHFFFAOYSA-N
XLogP-0.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.10
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-oxo-4-phosphanylmorpholine-3-carboxylic acid?
The IUPAC name of 5-oxo-4-phosphanylmorpholine-3-carboxylic acid (CID 20828180) is 5-oxo-4-phosphanylmorpholine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-4-phosphanylmorpholine-3-carboxylic acid?
The canonical SMILES for 5-oxo-4-phosphanylmorpholine-3-carboxylic acid is O=C(O)C1COCC(=O)N1P.
What is the InChIKey of 5-oxo-4-phosphanylmorpholine-3-carboxylic acid?
The InChIKey is VVRLCHFPDYARPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO4P/c7-4-2-10-1-3(5(8)9)6(4)11/h3H,1-2,11H2,(H,8,9).
What are the key properties of 5-oxo-4-phosphanylmorpholine-3-carboxylic acid?
5-oxo-4-phosphanylmorpholine-3-carboxylic acid has a molecular weight of 177.10 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-phosphanylmorpholine-3-carboxylic acid is sourced from PubChem (CID 20828180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).