[2-(dipropylamino)-2-oxoethyl]phosphonic acid

C8H18NO4P — CID 19906185

IUPAC[2-(dipropylamino)-2-oxoethyl]phosphonic acid
SMILESCCCN(CCC)C(=O)CP(=O)(O)O
InChIInChI=1S/C8H18NO4P/c1-3-5-9(6-4-2)8(10)7-14(11,12)13/h3-7H2,1-2H3,(H2,11,12,13)
InChIKeyOXOYGQYBBSGJIE-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.81
Rot. Bonds6

About [2-(dipropylamino)-2-oxoethyl]phosphonic acid

[2-(dipropylamino)-2-oxoethyl]phosphonic acid (PubChem CID 19906185) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is [2-(dipropylamino)-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[2-(dipropylamino)-2-oxoethyl]phosphonic acid
PubChem CID19906185
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name[2-(dipropylamino)-2-oxoethyl]phosphonic acid
SMILESCCCN(CCC)C(=O)CP(=O)(O)O
InChIInChI=1S/C8H18NO4P/c1-3-5-9(6-4-2)8(10)7-14(11,12)13/h3-7H2,1-2H3,(H2,11,12,13)
InChIKeyOXOYGQYBBSGJIE-UHFFFAOYSA-N
XLogP0.81
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(dipropylamino)-2-oxoethyl]phosphonic acid?
The IUPAC name of [2-(dipropylamino)-2-oxoethyl]phosphonic acid (CID 19906185) is [2-(dipropylamino)-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [2-(dipropylamino)-2-oxoethyl]phosphonic acid?
The canonical SMILES for [2-(dipropylamino)-2-oxoethyl]phosphonic acid is CCCN(CCC)C(=O)CP(=O)(O)O.
What is the InChIKey of [2-(dipropylamino)-2-oxoethyl]phosphonic acid?
The InChIKey is OXOYGQYBBSGJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-3-5-9(6-4-2)8(10)7-14(11,12)13/h3-7H2,1-2H3,(H2,11,12,13).
What are the key properties of [2-(dipropylamino)-2-oxoethyl]phosphonic acid?
[2-(dipropylamino)-2-oxoethyl]phosphonic acid has a molecular weight of 223.21 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dipropylamino)-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 19906185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).