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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Related Compounds

diphosphanyl 3-amino-4-[methyl(3-oxobutan-2-yl)amino]-4-oxobutanoate
CID 20677767
methyl N-methyl-N-(3-oxobutan-2-yl)carbamate
CID 59582321
[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate
CID 157315892
(3R)-5-methoxy-3-(methylamino)pentan-2-one
CID 130319211
2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate
CID 54402936
N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
CID 166448994
CID 166448994
CID 20736384
CID 20736384
[2-(methylamino)-3-oxobutyl]azanide
CID 54347753
3-(methylamino)heptane-2,5-dione
CID 121263911
3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc
CID 163678788
(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-2-(methylamino)pentanamide
CID 122467702

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).