3-aminobutyl-methoxy-oxophosphanium

C5H13NO2P+ — CID 21195513

IUPAC3-aminobutyl-methoxy-oxophosphanium
SMILESCO[P+](=O)CCC(C)N
InChIInChI=1S/C5H13NO2P/c1-5(6)3-4-9(7)8-2/h5H,3-4,6H2,1-2H3/q+1
InChIKeySLUHUPDGOOFAQR-UHFFFAOYSA-N
MW150.14 g/mol
LogP1.11
Rot. Bonds4

About 3-aminobutyl-methoxy-oxophosphanium

3-aminobutyl-methoxy-oxophosphanium (PubChem CID 21195513) has the molecular formula C5H13NO2P+ and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-aminobutyl-methoxy-oxophosphanium.

Molecular Properties

Compound Name3-aminobutyl-methoxy-oxophosphanium
PubChem CID21195513
Molecular FormulaC5H13NO2P+
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name3-aminobutyl-methoxy-oxophosphanium
SMILESCO[P+](=O)CCC(C)N
InChIInChI=1S/C5H13NO2P/c1-5(6)3-4-9(7)8-2/h5H,3-4,6H2,1-2H3/q+1
InChIKeySLUHUPDGOOFAQR-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.11
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 3-aminobutyl-methoxy-oxophosphanium?
The IUPAC name of 3-aminobutyl-methoxy-oxophosphanium (CID 21195513) is 3-aminobutyl-methoxy-oxophosphanium.
What is the SMILES notation for 3-aminobutyl-methoxy-oxophosphanium?
The canonical SMILES for 3-aminobutyl-methoxy-oxophosphanium is CO[P+](=O)CCC(C)N.
What is the InChIKey of 3-aminobutyl-methoxy-oxophosphanium?
The InChIKey is SLUHUPDGOOFAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2P/c1-5(6)3-4-9(7)8-2/h5H,3-4,6H2,1-2H3/q+1.
What are the key properties of 3-aminobutyl-methoxy-oxophosphanium?
3-aminobutyl-methoxy-oxophosphanium has a molecular weight of 150.14 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobutyl-methoxy-oxophosphanium is sourced from PubChem (CID 21195513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).