ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate

C10H17NO4 — CID 134995383

IUPACethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate
SMILESCCOC(=O)/C=N/C(C)(C)COC(C)=O
InChIInChI=1S/C10H17NO4/c1-5-14-9(13)6-11-10(3,4)7-15-8(2)12/h6H,5,7H2,1-4H3/b11-6+
InChIKeyJLEVQWIRRPIXOO-IZZDOVSWSA-N
MW215.25 g/mol
LogP0.96
Rot. Bonds5

About ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate

ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate (PubChem CID 134995383) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate.

Molecular Properties

Compound Nameethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate
PubChem CID134995383
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate
SMILESCCOC(=O)/C=N/C(C)(C)COC(C)=O
InChIInChI=1S/C10H17NO4/c1-5-14-9(13)6-11-10(3,4)7-15-8(2)12/h6H,5,7H2,1-4H3/b11-6+
InChIKeyJLEVQWIRRPIXOO-IZZDOVSWSA-N
XLogP0.96
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Methanimine,C-ethoxycarbonyl,N-ethoxycarbonylmethyl
CID 547205
Ethyl 2-tert-butyliminoacetate
CID 101941184
tert-butyl (2S)-2-[(2-ethoxy-2-oxoethylidene)amino]propanoate
CID 10466357
Methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]iminoacetate
CID 139818682
Methyl 2-(2-butan-2-yloxyethylimino)acetate
CID 139818686
Methyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylimino]acetate
CID 139818694
Methyl 2-(2-propoxyethylimino)acetate
CID 139818700
Ethyl 2-(2-ethoxyethylimino)acetate
CID 139818746
Ethyl 2-(2-propan-2-yloxyethylimino)acetate
CID 139818763
Ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate
CID 139818768
Methyl 2-[(3-acetyloxy-2,2-dimethylpropylidene)amino]propanoate
CID 156510626
2-Tert-butyliminoethyl 2,2-dimethylpropanoate
CID 13033935

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate?
The IUPAC name of ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate (CID 134995383) is ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate.
What is the SMILES notation for ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate?
The canonical SMILES for ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate is CCOC(=O)/C=N/C(C)(C)COC(C)=O.
What is the InChIKey of ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate?
The InChIKey is JLEVQWIRRPIXOO-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-14-9(13)6-11-10(3,4)7-15-8(2)12/h6H,5,7H2,1-4H3/b11-6+.
What are the key properties of ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate?
ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate has a molecular weight of 215.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate is sourced from PubChem (CID 134995383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).