diphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate

C10H20N2O4P2 — CID 20736394

IUPACdiphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate
SMILESCNC(CC(=O)OPP)C(=O)N(C)C(C)C(C)=O
InChIInChI=1S/C10H20N2O4P2/c1-6(7(2)13)12(4)10(15)8(11-3)5-9(14)16-18-17/h6,8,11,18H,5,17H2,1-4H3
InChIKeyWRYKAIKOYRFQPL-UHFFFAOYSA-N
MW294.23 g/mol
LogP0.33
Rot. Bonds7

About diphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate

diphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate (PubChem CID 20736394) has the molecular formula C10H20N2O4P2 and a molecular weight of 294.23 g/mol. Its IUPAC name is diphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Namediphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate
PubChem CID20736394
Molecular FormulaC10H20N2O4P2
Molecular Weight294.23 g/mol
Exact Mass294.09
IUPAC Namediphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate
SMILESCNC(CC(=O)OPP)C(=O)N(C)C(C)C(C)=O
InChIInChI=1S/C10H20N2O4P2/c1-6(7(2)13)12(4)10(15)8(11-3)5-9(14)16-18-17/h6,8,11,18H,5,17H2,1-4H3
InChIKeyWRYKAIKOYRFQPL-UHFFFAOYSA-N
XLogP0.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate?
The IUPAC name of diphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate (CID 20736394) is diphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate.
What is the SMILES notation for diphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate?
The canonical SMILES for diphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate is CNC(CC(=O)OPP)C(=O)N(C)C(C)C(C)=O.
What is the InChIKey of diphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate?
The InChIKey is WRYKAIKOYRFQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4P2/c1-6(7(2)13)12(4)10(15)8(11-3)5-9(14)16-18-17/h6,8,11,18H,5,17H2,1-4H3.
What are the key properties of diphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate?
diphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate has a molecular weight of 294.23 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphosphanyl 3-(methylamino)-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 20736394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).