2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate

C8H18NO7P — CID 146675976

IUPAC2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate
SMILESCCOP(=O)(CC[NH3+])OCC.O=C([O-])C(=O)O
InChIInChI=1S/C6H16NO3P.C2H2O4/c1-3-9-11(8,6-5-7)10-4-2;3-1(4)2(5)6/h3-7H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYWTBOEJNYKHJGI-UHFFFAOYSA-N
MW271.21 g/mol
LogP-1.68
Rot. Bonds6

About 2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate

2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate (PubChem CID 146675976) has the molecular formula C8H18NO7P and a molecular weight of 271.21 g/mol. Its IUPAC name is 2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate.

Molecular Properties

Compound Name2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate
PubChem CID146675976
Molecular FormulaC8H18NO7P
Molecular Weight271.21 g/mol
Exact Mass271.08
IUPAC Name2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate
SMILESCCOP(=O)(CC[NH3+])OCC.O=C([O-])C(=O)O
InChIInChI=1S/C6H16NO3P.C2H2O4/c1-3-9-11(8,6-5-7)10-4-2;3-1(4)2(5)6/h3-7H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYWTBOEJNYKHJGI-UHFFFAOYSA-N
XLogP-1.68
TPSA140.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate
CID 66557810
3-diethoxyphosphorylpropan-1-amine;oxalic acid
CID 2733597
ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid
CID 139053074
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998
4-diethoxyphosphoryl-1-hydroxybutan-2-one
CID 11009594
6-diethoxyphosphorylhexan-3-one
CID 91326618
diethyl 2-(2-diethoxyphosphorylethyl)propanedioate
CID 174999001
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
8-diethoxyphosphoryloctan-1-ol
CID 10515886
2-diethoxyphosphorylethanesulfonic acid
CID 14904485

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate?
The IUPAC name of 2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate (CID 146675976) is 2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate.
What is the SMILES notation for 2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate?
The canonical SMILES for 2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate is CCOP(=O)(CC[NH3+])OCC.O=C([O-])C(=O)O.
What is the InChIKey of 2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate?
The InChIKey is YWTBOEJNYKHJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO3P.C2H2O4/c1-3-9-11(8,6-5-7)10-4-2;3-1(4)2(5)6/h3-7H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate?
2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate has a molecular weight of 271.21 g/mol, XLogP of -1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate is sourced from PubChem (CID 146675976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).