diphosphanyl 3-(methylamino)-4-oxopentanoate

C6H13NO3P2 — CID 54224758

IUPACdiphosphanyl 3-(methylamino)-4-oxopentanoate
SMILESCNC(CC(=O)OPP)C(C)=O
InChIInChI=1S/C6H13NO3P2/c1-4(8)5(7-2)3-6(9)10-12-11/h5,7,12H,3,11H2,1-2H3
InChIKeyQFBOYKXIJQHMEX-UHFFFAOYSA-N
MW209.12 g/mol
LogP0.48
Rot. Bonds5

About diphosphanyl 3-(methylamino)-4-oxopentanoate

diphosphanyl 3-(methylamino)-4-oxopentanoate (PubChem CID 54224758) has the molecular formula C6H13NO3P2 and a molecular weight of 209.12 g/mol. Its IUPAC name is diphosphanyl 3-(methylamino)-4-oxopentanoate.

Molecular Properties

Compound Namediphosphanyl 3-(methylamino)-4-oxopentanoate
PubChem CID54224758
Molecular FormulaC6H13NO3P2
Molecular Weight209.12 g/mol
Exact Mass209.04
IUPAC Namediphosphanyl 3-(methylamino)-4-oxopentanoate
SMILESCNC(CC(=O)OPP)C(C)=O
InChIInChI=1S/C6H13NO3P2/c1-4(8)5(7-2)3-6(9)10-12-11/h5,7,12H,3,11H2,1-2H3
InChIKeyQFBOYKXIJQHMEX-UHFFFAOYSA-N
XLogP0.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphosphanyl 3-(methylamino)-4-oxopentanoate?
The IUPAC name of diphosphanyl 3-(methylamino)-4-oxopentanoate (CID 54224758) is diphosphanyl 3-(methylamino)-4-oxopentanoate.
What is the SMILES notation for diphosphanyl 3-(methylamino)-4-oxopentanoate?
The canonical SMILES for diphosphanyl 3-(methylamino)-4-oxopentanoate is CNC(CC(=O)OPP)C(C)=O.
What is the InChIKey of diphosphanyl 3-(methylamino)-4-oxopentanoate?
The InChIKey is QFBOYKXIJQHMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3P2/c1-4(8)5(7-2)3-6(9)10-12-11/h5,7,12H,3,11H2,1-2H3.
What are the key properties of diphosphanyl 3-(methylamino)-4-oxopentanoate?
diphosphanyl 3-(methylamino)-4-oxopentanoate has a molecular weight of 209.12 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphosphanyl 3-(methylamino)-4-oxopentanoate is sourced from PubChem (CID 54224758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).