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

C9H18N2O4P2 — CID 20677767

IUPACdiphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate
SMILESCC(=O)C(C)N(C)C(=O)C(N)CC(=O)OPP
InChIInChI=1S/C9H18N2O4P2/c1-5(6(2)12)11(3)9(14)7(10)4-8(13)15-17-16/h5,7,17H,4,10,16H2,1-3H3
InChIKeyWATLNSPMNMZXBY-UHFFFAOYSA-N
MW280.20 g/mol
LogP0.07
Rot. Bonds6

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

diphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate (PubChem CID 20677767) has the molecular formula C9H18N2O4P2 and a molecular weight of 280.20 g/mol. Its IUPAC name is diphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Namediphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate
PubChem CID20677767
Molecular FormulaC9H18N2O4P2
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Namediphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate
SMILESCC(=O)C(C)N(C)C(=O)C(N)CC(=O)OPP
InChIInChI=1S/C9H18N2O4P2/c1-5(6(2)12)11(3)9(14)7(10)4-8(13)15-17-16/h5,7,17H,4,10,16H2,1-3H3
InChIKeyWATLNSPMNMZXBY-UHFFFAOYSA-N
XLogP0.07
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 50.07
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-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate?
The IUPAC name of diphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate (CID 20677767) is diphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate.
What is the SMILES notation for diphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate?
The canonical SMILES for diphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate is CC(=O)C(C)N(C)C(=O)C(N)CC(=O)OPP.
What is the InChIKey of diphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate?
The InChIKey is WATLNSPMNMZXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4P2/c1-5(6(2)12)11(3)9(14)7(10)4-8(13)15-17-16/h5,7,17H,4,10,16H2,1-3H3.
What are the key properties of diphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate?
diphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate has a molecular weight of 280.20 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 20677767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).