ethyl 2-imino-3,3-dimethylbutanoate

C8H15NO2 — CID 134381367

IUPACethyl 2-imino-3,3-dimethylbutanoate
SMILES[H]/N=C(\C(=O)OCC)C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-5-11-7(10)6(9)8(2,3)4/h9H,5H2,1-4H3/b9-6+
InChIKeyHEWDHDVFGFDICS-RMKNXTFCSA-N
MW157.21 g/mol
LogP1.62
Rot. Bonds2

About ethyl 2-imino-3,3-dimethylbutanoate

ethyl 2-imino-3,3-dimethylbutanoate (PubChem CID 134381367) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 2-imino-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 2-imino-3,3-dimethylbutanoate
PubChem CID134381367
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 2-imino-3,3-dimethylbutanoate
SMILES[H]/N=C(\C(=O)OCC)C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-5-11-7(10)6(9)8(2,3)4/h9H,5H2,1-4H3/b9-6+
InChIKeyHEWDHDVFGFDICS-RMKNXTFCSA-N
XLogP1.62
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-2-iminoacetate
CID 19017716
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ethyl 2-imino-3-sulfanylpropanoate
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2,2,5,5-tetramethylhexane-3,4-diimine
CID 21281613
ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159370772
CID 159370772
ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate
CID 24976651
CID 159689459
CID 159689459
ethyl (Z)-2-ethanimidoyl-4,4,4-trifluoro-3-methylbut-2-enoate
CID 153192263
ethyl 2-carbonochloridimidoylsulfanyl-2-iminoacetate
CID 123831904
ethyl (3E)-3-hydroxyimino-2-iminopropanoate
CID 168935813
ethyl 3-fluoro-2-iminopentanoate
CID 175270794

Frequently Asked Questions

What is the IUPAC name of ethyl 2-imino-3,3-dimethylbutanoate?
The IUPAC name of ethyl 2-imino-3,3-dimethylbutanoate (CID 134381367) is ethyl 2-imino-3,3-dimethylbutanoate.
What is the SMILES notation for ethyl 2-imino-3,3-dimethylbutanoate?
The canonical SMILES for ethyl 2-imino-3,3-dimethylbutanoate is [H]/N=C(\C(=O)OCC)C(C)(C)C.
What is the InChIKey of ethyl 2-imino-3,3-dimethylbutanoate?
The InChIKey is HEWDHDVFGFDICS-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-11-7(10)6(9)8(2,3)4/h9H,5H2,1-4H3/b9-6+.
What are the key properties of ethyl 2-imino-3,3-dimethylbutanoate?
ethyl 2-imino-3,3-dimethylbutanoate has a molecular weight of 157.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-imino-3,3-dimethylbutanoate is sourced from PubChem (CID 134381367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).