ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate

C9H16N2O4 — CID 60895023

IUPACethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C9H16N2O4/c1-5-15-9(14)8(13)11(4)6-7(12)10(2)3/h5-6H2,1-4H3
InChIKeyHSHNNVVIBMAHTC-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.90
Rot. Bonds3

About ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate

ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate (PubChem CID 60895023) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate
PubChem CID60895023
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nameethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C9H16N2O4/c1-5-15-9(14)8(13)11(4)6-7(12)10(2)3/h5-6H2,1-4H3
InChIKeyHSHNNVVIBMAHTC-UHFFFAOYSA-N
XLogP-0.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate (CID 60895023) is ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate is CCOC(=O)C(=O)N(C)CC(=O)N(C)C.
What is the InChIKey of ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate?
The InChIKey is HSHNNVVIBMAHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-5-15-9(14)8(13)11(4)6-7(12)10(2)3/h5-6H2,1-4H3.
What are the key properties of ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate?
ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate has a molecular weight of 216.24 g/mol, XLogP of -0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate is sourced from PubChem (CID 60895023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).