diethylamino 2-amino-2-oxoacetate

C6H12N2O3 — CID 123923586

IUPACdiethylamino 2-amino-2-oxoacetate
SMILESCCN(CC)OC(=O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-3-8(4-2)11-6(10)5(7)9/h3-4H2,1-2H3,(H2,7,9)
InChIKeyKHQNQISDIKMDAK-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.73
Rot. Bonds3

About diethylamino 2-amino-2-oxoacetate

diethylamino 2-amino-2-oxoacetate (PubChem CID 123923586) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is diethylamino 2-amino-2-oxoacetate.

Molecular Properties

Compound Namediethylamino 2-amino-2-oxoacetate
PubChem CID123923586
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Namediethylamino 2-amino-2-oxoacetate
SMILESCCN(CC)OC(=O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-3-8(4-2)11-6(10)5(7)9/h3-4H2,1-2H3,(H2,7,9)
InChIKeyKHQNQISDIKMDAK-UHFFFAOYSA-N
XLogP-0.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diethylamino 2-acetylbut-2-enoate
CID 174392869
1-O-amino 3-O-(diethylamino) propanedioate
CID 174719636
bis(diethylamino) hexanedioate
CID 18954541
diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate
CID 57180067
bis[amino(ethyl)amino] oxalate
CID 87351303
ethoxycarbonyl 2-amino-2-oxoacetate
CID 174250262
CID 159370772
CID 159370772
2-O-(diaminomethylideneamino) 1-O-ethyl oxalate
CID 57134216
2-(dimethylamino)ethyl 2-amino-2-oxoacetate
CID 89128247
(dibutylamino) 2-methylbut-2-enoate
CID 174778974
[amino(ethyl)amino] hydrogen carbonate
CID 174793362
methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium
CID 59032041

Frequently Asked Questions

What is the IUPAC name of diethylamino 2-amino-2-oxoacetate?
The IUPAC name of diethylamino 2-amino-2-oxoacetate (CID 123923586) is diethylamino 2-amino-2-oxoacetate.
What is the SMILES notation for diethylamino 2-amino-2-oxoacetate?
The canonical SMILES for diethylamino 2-amino-2-oxoacetate is CCN(CC)OC(=O)C(N)=O.
What is the InChIKey of diethylamino 2-amino-2-oxoacetate?
The InChIKey is KHQNQISDIKMDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3-8(4-2)11-6(10)5(7)9/h3-4H2,1-2H3,(H2,7,9).
What are the key properties of diethylamino 2-amino-2-oxoacetate?
diethylamino 2-amino-2-oxoacetate has a molecular weight of 160.17 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino 2-amino-2-oxoacetate is sourced from PubChem (CID 123923586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).