3-aminobutyl-hydroxy-oxophosphanium

C4H11NO2P+ — CID 14362824

IUPAC3-aminobutyl-hydroxy-oxophosphanium
SMILESCC(N)CC[P+](=O)O
InChIInChI=1S/C4H10NO2P/c1-4(5)2-3-8(6)7/h4H,2-3,5H2,1H3/p+1
InChIKeySRURDZUGLKSAKE-UHFFFAOYSA-O
MW136.11 g/mol
LogP0.46
Rot. Bonds3

About 3-aminobutyl-hydroxy-oxophosphanium

3-aminobutyl-hydroxy-oxophosphanium (PubChem CID 14362824) has the molecular formula C4H11NO2P+ and a molecular weight of 136.11 g/mol. Its IUPAC name is 3-aminobutyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name3-aminobutyl-hydroxy-oxophosphanium
PubChem CID14362824
Molecular FormulaC4H11NO2P+
Molecular Weight136.11 g/mol
Exact Mass136.05
IUPAC Name3-aminobutyl-hydroxy-oxophosphanium
SMILESCC(N)CC[P+](=O)O
InChIInChI=1S/C4H10NO2P/c1-4(5)2-3-8(6)7/h4H,2-3,5H2,1H3/p+1
InChIKeySRURDZUGLKSAKE-UHFFFAOYSA-O
XLogP0.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hydroxy-oxophosphanium?
The IUPAC name of 3-aminobutyl-hydroxy-oxophosphanium (CID 14362824) is 3-aminobutyl-hydroxy-oxophosphanium.
What is the SMILES notation for 3-aminobutyl-hydroxy-oxophosphanium?
The canonical SMILES for 3-aminobutyl-hydroxy-oxophosphanium is CC(N)CC[P+](=O)O.
What is the InChIKey of 3-aminobutyl-hydroxy-oxophosphanium?
The InChIKey is SRURDZUGLKSAKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10NO2P/c1-4(5)2-3-8(6)7/h4H,2-3,5H2,1H3/p+1.
What are the key properties of 3-aminobutyl-hydroxy-oxophosphanium?
3-aminobutyl-hydroxy-oxophosphanium has a molecular weight of 136.11 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobutyl-hydroxy-oxophosphanium is sourced from PubChem (CID 14362824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).