ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate

C8H15NO3 — CID 60893933

IUPACethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)C(C)C
InChIInChI=1S/C8H15NO3/c1-5-12-8(11)7(10)9(4)6(2)3/h6H,5H2,1-4H3
InChIKeyGFHCKOGGTULCLJ-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.42
Rot. Bonds2

About ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate

ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate (PubChem CID 60893933) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
PubChem CID60893933
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)C(C)C
InChIInChI=1S/C8H15NO3/c1-5-12-8(11)7(10)9(4)6(2)3/h6H,5H2,1-4H3
InChIKeyGFHCKOGGTULCLJ-UHFFFAOYSA-N
XLogP0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-ethoxy-2-oxoacetyl)-methylamino]butanoic acid
CID 155341157
ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate
CID 60895382
ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate
CID 62338582
benzyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 155220245
2-[(2-ethoxy-2-oxoacetyl)-ethylamino]propanoic acid
CID 175018742
ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate
CID 60895023
ethyl 2-[methyl(propan-2-yl)amino]butanoate
CID 64660850
ethyl 2-oxo(213C)propanoate
CID 71309469
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
CID 43445755
CID 159370772
CID 159370772
CID 159689459
CID 159689459

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate (CID 60893933) is ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)N(C)C(C)C.
What is the InChIKey of ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate?
The InChIKey is GFHCKOGGTULCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-12-8(11)7(10)9(4)6(2)3/h6H,5H2,1-4H3.
What are the key properties of ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate?
ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate has a molecular weight of 173.21 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 60893933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).