[(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate

C6H8NO4P — CID 134864151

IUPAC[(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CC(=O)N(P)C1=O
InChIInChI=1S/C6H8NO4P/c1-3(8)11-4-2-5(9)7(12)6(4)10/h4H,2,12H2,1H3/t4-/m0/s1
InChIKeyZHDAGTSIRQULNB-BYPYZUCNSA-N
MW189.11 g/mol
LogP-0.53
Rot. Bonds1

About [(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate

[(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate (PubChem CID 134864151) has the molecular formula C6H8NO4P and a molecular weight of 189.11 g/mol. Its IUPAC name is [(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate
PubChem CID134864151
Molecular FormulaC6H8NO4P
Molecular Weight189.11 g/mol
Exact Mass189.02
IUPAC Name[(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CC(=O)N(P)C1=O
InChIInChI=1S/C6H8NO4P/c1-3(8)11-4-2-5(9)7(12)6(4)10/h4H,2,12H2,1H3/t4-/m0/s1
InChIKeyZHDAGTSIRQULNB-BYPYZUCNSA-N
XLogP-0.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.11
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 [(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate?
The IUPAC name of [(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate (CID 134864151) is [(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate?
The canonical SMILES for [(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate is CC(=O)O[C@H]1CC(=O)N(P)C1=O.
What is the InChIKey of [(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate?
The InChIKey is ZHDAGTSIRQULNB-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8NO4P/c1-3(8)11-4-2-5(9)7(12)6(4)10/h4H,2,12H2,1H3/t4-/m0/s1.
What are the key properties of [(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate?
[(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate has a molecular weight of 189.11 g/mol, XLogP of -0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate is sourced from PubChem (CID 134864151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).