[2-(diethylamino)-2-oxoethyl] dihydrogen phosphate

C6H14NO5P — CID 21278716

IUPAC[2-(diethylamino)-2-oxoethyl] dihydrogen phosphate
SMILESCCN(CC)C(=O)COP(=O)(O)O
InChIInChI=1S/C6H14NO5P/c1-3-7(4-2)6(8)5-12-13(9,10)11/h3-5H2,1-2H3,(H2,9,10,11)
InChIKeyCFPSSABOTIZLLT-UHFFFAOYSA-N
MW211.15 g/mol
LogP-0.04
Rot. Bonds5

About [2-(diethylamino)-2-oxoethyl] dihydrogen phosphate

[2-(diethylamino)-2-oxoethyl] dihydrogen phosphate (PubChem CID 21278716) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] dihydrogen phosphate
PubChem CID21278716
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name[2-(diethylamino)-2-oxoethyl] dihydrogen phosphate
SMILESCCN(CC)C(=O)COP(=O)(O)O
InChIInChI=1S/C6H14NO5P/c1-3-7(4-2)6(8)5-12-13(9,10)11/h3-5H2,1-2H3,(H2,9,10,11)
InChIKeyCFPSSABOTIZLLT-UHFFFAOYSA-N
XLogP-0.04
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
2-oxobutyl dihydrogen phosphate
CID 57029304
2-diethoxyphosphoryl-N,N-diethylacetamide
CID 13124144
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
alumane;ethyl dihydrogen phosphate
CID 173113989
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
CID 87495286
CID 87495286
disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride
CID 173171688
butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid
CID 88738432
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
ethyl 3-oxo-4-phosphonooxybutanoate
CID 132515992
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] dihydrogen phosphate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] dihydrogen phosphate (CID 21278716) is [2-(diethylamino)-2-oxoethyl] dihydrogen phosphate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] dihydrogen phosphate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] dihydrogen phosphate is CCN(CC)C(=O)COP(=O)(O)O.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] dihydrogen phosphate?
The InChIKey is CFPSSABOTIZLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-3-7(4-2)6(8)5-12-13(9,10)11/h3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of [2-(diethylamino)-2-oxoethyl] dihydrogen phosphate?
[2-(diethylamino)-2-oxoethyl] dihydrogen phosphate has a molecular weight of 211.15 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] dihydrogen phosphate is sourced from PubChem (CID 21278716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).