hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid

C4H11NO7P2+2 — CID 88757252

IUPAChydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid
SMILESCNCCC(=O)O.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C4H9NO2.O5P2/c1-5-3-2-4(6)7;1-6(2)5-7(3)4/h5H,2-3H2,1H3,(H,6,7);/p+2
InChIKeyAMBCGWWPNWUCNP-UHFFFAOYSA-P
MW247.08 g/mol
LogP-0.02
Rot. Bonds5

About hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid

hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid (PubChem CID 88757252) has the molecular formula C4H11NO7P2+2 and a molecular weight of 247.08 g/mol. Its IUPAC name is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid.

Molecular Properties

Compound Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid
PubChem CID88757252
Molecular FormulaC4H11NO7P2+2
Molecular Weight247.08 g/mol
Exact Mass247.00
IUPAC Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid
SMILESCNCCC(=O)O.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C4H9NO2.O5P2/c1-5-3-2-4(6)7;1-6(2)5-7(3)4/h5H,2-3H2,1H3,(H,6,7);/p+2
InChIKeyAMBCGWWPNWUCNP-UHFFFAOYSA-P
XLogP-0.02
TPSA133.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid 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

5-(methylamino)pentanoic acid
CID 91583432
3-(trideuteriomethylamino)propanoic acid
CID 46782182
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
dilithium;hydride;4-(methylamino)butanoic acid
CID 173352430
6-(methylamino)hexanoic acid
CID 4989372
ethane;5-(methylamino)pentanoic acid
CID 178043439
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium
CID 89102617
3-[2-(methylamino)ethylsulfanylamino]propanoic acid
CID 145434186
disodium;hydride;4-(methylamino)butanoic acid;sulfane
CID 175037506
3-[11-(methylamino)undecoxy]propanoic acid
CID 118279821
4-[2-[2-[2-[4-(methylamino)butylamino]ethylamino]ethylamino]ethylamino]butanoic acid
CID 168831569

Frequently Asked Questions

What is the IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid?
The IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid (CID 88757252) is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid.
What is the SMILES notation for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid?
The canonical SMILES for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid is CNCCC(=O)O.O=[P+](O)O[P+](=O)O.
What is the InChIKey of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid?
The InChIKey is AMBCGWWPNWUCNP-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H9NO2.O5P2/c1-5-3-2-4(6)7;1-6(2)5-7(3)4/h5H,2-3H2,1H3,(H,6,7);/p+2.
What are the key properties of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid?
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid has a molecular weight of 247.08 g/mol, XLogP of -0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid is sourced from PubChem (CID 88757252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).