ethyl 3-ethylimino-2-methylpropanoate

C8H15NO2 — CID 57236198

IUPACethyl 3-ethylimino-2-methylpropanoate
SMILESCC/N=C/C(C)C(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-9-6-7(3)8(10)11-5-2/h6-7H,4-5H2,1-3H3/b9-6+
InChIKeyUPBSGEHIQPUIDR-RMKNXTFCSA-N
MW157.21 g/mol
LogP1.28
Rot. Bonds4

About ethyl 3-ethylimino-2-methylpropanoate

ethyl 3-ethylimino-2-methylpropanoate (PubChem CID 57236198) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 3-ethylimino-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-ethylimino-2-methylpropanoate
PubChem CID57236198
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 3-ethylimino-2-methylpropanoate
SMILESCC/N=C/C(C)C(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-9-6-7(3)8(10)11-5-2/h6-7H,4-5H2,1-3H3/b9-6+
InChIKeyUPBSGEHIQPUIDR-RMKNXTFCSA-N
XLogP1.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-imino-2-methylpropanoate
CID 54550112
Methyl 3-ethyliminopropanoate
CID 7054794
Ethyl 3-ethyliminopropanoate
CID 7838994
Ethyl 3-methyliminopropanoate
CID 18322596
Ethyl 2-(2-methylpropylideneamino)acetate
CID 20221994
Butyl 3-imino-2-methylpropanoate
CID 53647701
Methyl 3-tert-butyliminopropanoate
CID 53859319
Ethyl 3-cyclopropyliminopropanoate
CID 54072714
Methyl 2,5-dihydropyrimidine-5-carboxylate
CID 54145857
Ethyl 3-butyliminopropanoate
CID 54181998
Methyl 3-tert-butylimino-2-methylpropanoate
CID 57003787
Ethyl 2-methyl-3-methyliminopropanoate
CID 57007445

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethylimino-2-methylpropanoate?
The IUPAC name of ethyl 3-ethylimino-2-methylpropanoate (CID 57236198) is ethyl 3-ethylimino-2-methylpropanoate.
What is the SMILES notation for ethyl 3-ethylimino-2-methylpropanoate?
The canonical SMILES for ethyl 3-ethylimino-2-methylpropanoate is CC/N=C/C(C)C(=O)OCC.
What is the InChIKey of ethyl 3-ethylimino-2-methylpropanoate?
The InChIKey is UPBSGEHIQPUIDR-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-9-6-7(3)8(10)11-5-2/h6-7H,4-5H2,1-3H3/b9-6+.
What are the key properties of ethyl 3-ethylimino-2-methylpropanoate?
ethyl 3-ethylimino-2-methylpropanoate has a molecular weight of 157.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethylimino-2-methylpropanoate is sourced from PubChem (CID 57236198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).