hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium

C5H11NO3P+ — CID 102258308

IUPAChydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium
SMILESO=[P+](O)OC[C@@H]1CCCN1
InChIInChI=1S/C5H10NO3P/c7-10(8)9-4-5-2-1-3-6-5/h5-6H,1-4H2/p+1/t5-/m0/s1
InChIKeyLPICUBKDTHDAOB-YFKPBYRVSA-O
MW164.12 g/mol
LogP0.40
Rot. Bonds3

About hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium

hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium (PubChem CID 102258308) has the molecular formula C5H11NO3P+ and a molecular weight of 164.12 g/mol. Its IUPAC name is hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium
PubChem CID102258308
Molecular FormulaC5H11NO3P+
Molecular Weight164.12 g/mol
Exact Mass164.05
IUPAC Namehydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium
SMILESO=[P+](O)OC[C@@H]1CCCN1
InChIInChI=1S/C5H10NO3P/c7-10(8)9-4-5-2-1-3-6-5/h5-6H,1-4H2/p+1/t5-/m0/s1
InChIKeyLPICUBKDTHDAOB-YFKPBYRVSA-O
XLogP0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.40
H-Bond Donors ≤ 52
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 hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium?
The IUPAC name of hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium (CID 102258308) is hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium.
What is the SMILES notation for hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium?
The canonical SMILES for hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium is O=[P+](O)OC[C@@H]1CCCN1.
What is the InChIKey of hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium?
The InChIKey is LPICUBKDTHDAOB-YFKPBYRVSA-O. The full InChI is InChI=1S/C5H10NO3P/c7-10(8)9-4-5-2-1-3-6-5/h5-6H,1-4H2/p+1/t5-/m0/s1.
What are the key properties of hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium?
hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium has a molecular weight of 164.12 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[[(2S)-pyrrolidin-2-yl]methoxy]phosphanium is sourced from PubChem (CID 102258308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).