hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium

C9H11NO4P+ — CID 6338610

IUPAChydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium
SMILESO=C(NC[P+](=O)O)OCc1ccccc1
InChIInChI=1S/C9H10NO4P/c11-9(10-7-15(12)13)14-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H-,10,11,12,13)/p+1
InChIKeyAWABBRGNEVMOQD-UHFFFAOYSA-O
MW228.16 g/mol
LogP1.61
Rot. Bonds4

About hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium

hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium (PubChem CID 6338610) has the molecular formula C9H11NO4P+ and a molecular weight of 228.16 g/mol. Its IUPAC name is hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium
PubChem CID6338610
Molecular FormulaC9H11NO4P+
Molecular Weight228.16 g/mol
Exact Mass228.04
IUPAC Namehydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium
SMILESO=C(NC[P+](=O)O)OCc1ccccc1
InChIInChI=1S/C9H10NO4P/c11-9(10-7-15(12)13)14-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H-,10,11,12,13)/p+1
InChIKeyAWABBRGNEVMOQD-UHFFFAOYSA-O
XLogP1.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 51.61
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-(phenylmethoxycarbonylaminomethyl)phosphanium?
The IUPAC name of hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium (CID 6338610) is hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium?
The canonical SMILES for hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium is O=C(NC[P+](=O)O)OCc1ccccc1.
What is the InChIKey of hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium?
The InChIKey is AWABBRGNEVMOQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10NO4P/c11-9(10-7-15(12)13)14-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H-,10,11,12,13)/p+1.
What are the key properties of hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium?
hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium has a molecular weight of 228.16 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium is sourced from PubChem (CID 6338610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).