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

C3H7NO4P+ — CID 88694405

IUPAC(3-amino-2-oxopropoxy)-hydroxy-oxophosphanium
SMILESNCC(=O)CO[P+](=O)O
InChIInChI=1S/C3H6NO4P/c4-1-3(5)2-8-9(6)7/h1-2,4H2/p+1
InChIKeyVVQOECBWEKEZEF-UHFFFAOYSA-O
MW152.07 g/mol
LogP-0.82
Rot. Bonds4

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

(3-amino-2-oxopropoxy)-hydroxy-oxophosphanium (PubChem CID 88694405) has the molecular formula C3H7NO4P+ and a molecular weight of 152.07 g/mol. Its IUPAC name is (3-amino-2-oxopropoxy)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(3-amino-2-oxopropoxy)-hydroxy-oxophosphanium
PubChem CID88694405
Molecular FormulaC3H7NO4P+
Molecular Weight152.07 g/mol
Exact Mass152.01
IUPAC Name(3-amino-2-oxopropoxy)-hydroxy-oxophosphanium
SMILESNCC(=O)CO[P+](=O)O
InChIInChI=1S/C3H6NO4P/c4-1-3(5)2-8-9(6)7/h1-2,4H2/p+1
InChIKeyVVQOECBWEKEZEF-UHFFFAOYSA-O
XLogP-0.82
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-amino-2-oxopropoxy)-hydroxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-2-oxopropyl phosphate
CID 5
3-Ammonio-2-oxopropyl phosphate(1-)
CID 25244426
(1-Amino-2-oxopropyl) dihydrogen phosphate
CID 17974882
Bis(3-amino-2-oxopropoxy)-oxophosphanium
CID 20276826
Tris(3-amino-2-oxopropyl) phosphate
CID 23615185
(3-Amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium
CID 57088772
1-Amino-3-phosphorosooxypropan-2-one
CID 87800889
1-Amino-3-hydroxypropan-2-one;phosphoric acid
CID 88003139
(3-Amino-2-oxopropoxy)-(3-amino-2-oxopropyl)phosphinic acid
CID 88794144
(3-Amino-2-oxopropoxy)-methyl-oxophosphanium
CID 91061911
(3-Amino-2-oxopropoxy)-methylphosphinic acid
CID 140999170
(3-Amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium
CID 165057029

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-oxopropoxy)-hydroxy-oxophosphanium?
The IUPAC name of (3-amino-2-oxopropoxy)-hydroxy-oxophosphanium (CID 88694405) is (3-amino-2-oxopropoxy)-hydroxy-oxophosphanium.
What is the SMILES notation for (3-amino-2-oxopropoxy)-hydroxy-oxophosphanium?
The canonical SMILES for (3-amino-2-oxopropoxy)-hydroxy-oxophosphanium is NCC(=O)CO[P+](=O)O.
What is the InChIKey of (3-amino-2-oxopropoxy)-hydroxy-oxophosphanium?
The InChIKey is VVQOECBWEKEZEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6NO4P/c4-1-3(5)2-8-9(6)7/h1-2,4H2/p+1.
What are the key properties of (3-amino-2-oxopropoxy)-hydroxy-oxophosphanium?
(3-amino-2-oxopropoxy)-hydroxy-oxophosphanium has a molecular weight of 152.07 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-oxopropoxy)-hydroxy-oxophosphanium is sourced from PubChem (CID 88694405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).