1-aminoethyl-hydroxy-oxophosphanium

C2H7NO2P+ — CID 6365712

IUPAC1-aminoethyl-hydroxy-oxophosphanium
SMILESCC(N)[P+](=O)O
InChIInChI=1S/C2H6NO2P/c1-2(3)6(4)5/h2H,3H2,1H3/p+1
InChIKeyRKNZSDPICWKOHV-UHFFFAOYSA-O
MW108.06 g/mol
LogP0.03
Rot. Bonds1

About 1-aminoethyl-hydroxy-oxophosphanium

1-aminoethyl-hydroxy-oxophosphanium (PubChem CID 6365712) has the molecular formula C2H7NO2P+ and a molecular weight of 108.06 g/mol. Its IUPAC name is 1-aminoethyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1-aminoethyl-hydroxy-oxophosphanium
PubChem CID6365712
Molecular FormulaC2H7NO2P+
Molecular Weight108.06 g/mol
Exact Mass108.02
IUPAC Name1-aminoethyl-hydroxy-oxophosphanium
SMILESCC(N)[P+](=O)O
InChIInChI=1S/C2H6NO2P/c1-2(3)6(4)5/h2H,3H2,1H3/p+1
InChIKeyRKNZSDPICWKOHV-UHFFFAOYSA-O
XLogP0.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.06
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 339
CID 339
CID 5230
CID 5230
CID 5245507
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CID 97587
CID 97587
CID 178368
CID 178368
CID 272986
CID 272986
CID 97709
CID 97709
CID 4868255
CID 4868255
CID 6335948
CID 6335948
CID 185992
CID 185992
CID 181769
CID 181769
CID 121956
CID 121956

Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl-hydroxy-oxophosphanium?
The IUPAC name of 1-aminoethyl-hydroxy-oxophosphanium (CID 6365712) is 1-aminoethyl-hydroxy-oxophosphanium.
What is the SMILES notation for 1-aminoethyl-hydroxy-oxophosphanium?
The canonical SMILES for 1-aminoethyl-hydroxy-oxophosphanium is CC(N)[P+](=O)O.
What is the InChIKey of 1-aminoethyl-hydroxy-oxophosphanium?
The InChIKey is RKNZSDPICWKOHV-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6NO2P/c1-2(3)6(4)5/h2H,3H2,1H3/p+1.
What are the key properties of 1-aminoethyl-hydroxy-oxophosphanium?
1-aminoethyl-hydroxy-oxophosphanium has a molecular weight of 108.06 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-aminoethyl-hydroxy-oxophosphanium is sourced from PubChem (CID 6365712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).