(3-amino-2-oxopropoxy)-methyl-oxophosphanium

C4H9NO3P+ — CID 91061911

IUPAC(3-amino-2-oxopropoxy)-methyl-oxophosphanium
SMILESC[P+](=O)OCC(=O)CN
InChIInChI=1S/C4H9NO3P/c1-9(7)8-3-4(6)2-5/h2-3,5H2,1H3/q+1
InChIKeyYDFSQKDOZQCCMU-UHFFFAOYSA-N
MW150.09 g/mol
LogP-0.10
Rot. Bonds4

About (3-amino-2-oxopropoxy)-methyl-oxophosphanium

(3-amino-2-oxopropoxy)-methyl-oxophosphanium (PubChem CID 91061911) has the molecular formula C4H9NO3P+ and a molecular weight of 150.09 g/mol. Its IUPAC name is (3-amino-2-oxopropoxy)-methyl-oxophosphanium.

Molecular Properties

Compound Name(3-amino-2-oxopropoxy)-methyl-oxophosphanium
PubChem CID91061911
Molecular FormulaC4H9NO3P+
Molecular Weight150.09 g/mol
Exact Mass150.03
IUPAC Name(3-amino-2-oxopropoxy)-methyl-oxophosphanium
SMILESC[P+](=O)OCC(=O)CN
InChIInChI=1S/C4H9NO3P/c1-9(7)8-3-4(6)2-5/h2-3,5H2,1H3/q+1
InChIKeyYDFSQKDOZQCCMU-UHFFFAOYSA-N
XLogP-0.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-2-oxopropoxy)-methyl-oxophosphanium?
The IUPAC name of (3-amino-2-oxopropoxy)-methyl-oxophosphanium (CID 91061911) is (3-amino-2-oxopropoxy)-methyl-oxophosphanium.
What is the SMILES notation for (3-amino-2-oxopropoxy)-methyl-oxophosphanium?
The canonical SMILES for (3-amino-2-oxopropoxy)-methyl-oxophosphanium is C[P+](=O)OCC(=O)CN.
What is the InChIKey of (3-amino-2-oxopropoxy)-methyl-oxophosphanium?
The InChIKey is YDFSQKDOZQCCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3P/c1-9(7)8-3-4(6)2-5/h2-3,5H2,1H3/q+1.
What are the key properties of (3-amino-2-oxopropoxy)-methyl-oxophosphanium?
(3-amino-2-oxopropoxy)-methyl-oxophosphanium has a molecular weight of 150.09 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-oxopropoxy)-methyl-oxophosphanium is sourced from PubChem (CID 91061911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).