ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate

C10H17NO5 — CID 91619483

IUPACethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO5/c1-5-15-9(14)8(13)11-6-7(12)16-10(2,3)4/h5-6H2,1-4H3,(H,11,13)
InChIKeyDTLUSAJATZQCFI-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.01
Rot. Bonds3

About ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate

ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate (PubChem CID 91619483) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate
PubChem CID91619483
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Nameethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO5/c1-5-15-9(14)8(13)11-6-7(12)16-10(2,3)4/h5-6H2,1-4H3,(H,11,13)
InChIKeyDTLUSAJATZQCFI-UHFFFAOYSA-N
XLogP0.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-oxo-2-(2-oxopropylamino)acetate
CID 57348900
ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate
CID 60894132
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 61498958
tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
ethyl 2-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 22080566
ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate
CID 86683904
tert-butyl 2-(1,1-diethoxyethylamino)acetate
CID 19094648
ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate
CID 157113144
ethyl 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate
CID 123875399
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate (CID 91619483) is ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate is CCOC(=O)C(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate?
The InChIKey is DTLUSAJATZQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-5-15-9(14)8(13)11-6-7(12)16-10(2,3)4/h5-6H2,1-4H3,(H,11,13).
What are the key properties of ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate?
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate has a molecular weight of 231.25 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate is sourced from PubChem (CID 91619483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).