methyl 3-ethylimino-2-methylpropanoate

C7H13NO2 — CID 123326483

IUPACmethyl 3-ethylimino-2-methylpropanoate
SMILESCC/N=C/C(C)C(=O)OC
InChIInChI=1S/C7H13NO2/c1-4-8-5-6(2)7(9)10-3/h5-6H,4H2,1-3H3/b8-5+
InChIKeyHFRUWIUKRHYLBX-VMPITWQZSA-N
MW143.19 g/mol
LogP0.89
Rot. Bonds3

About methyl 3-ethylimino-2-methylpropanoate

methyl 3-ethylimino-2-methylpropanoate (PubChem CID 123326483) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 3-ethylimino-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-ethylimino-2-methylpropanoate
PubChem CID123326483
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 3-ethylimino-2-methylpropanoate
SMILESCC/N=C/C(C)C(=O)OC
InChIInChI=1S/C7H13NO2/c1-4-8-5-6(2)7(9)10-3/h5-6H,4H2,1-3H3/b8-5+
InChIKeyHFRUWIUKRHYLBX-VMPITWQZSA-N
XLogP0.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.89
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

Methyl 2-(2-methylpropylideneamino)acetate
CID 13125041
Ethyl 3-imino-2-methylpropanoate
CID 54550112
[3-methyl-but-(E)-ylideneamino]-acetic acid methyl ester
CID 87096444
Dimethyl 2-(methyliminomethyl)propanedioate
CID 90924832
Hvfopnamkwihbe-vmpitwqzsa-
CID 13215911
Methyl 3-ethyliminopropanoate
CID 7054794
Ethyl 3-ethyliminopropanoate
CID 7838994
Ethyl 3-methyliminopropanoate
CID 18322596
3-Ethylimino-2-methylpropanoic acid
CID 20309989
2-Methyl-3-methyliminopropanoic acid
CID 20430866
Methyl 3-imino-2-methylpropanoate
CID 53852807
Methyl 3-tert-butyliminopropanoate
CID 53859319

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethylimino-2-methylpropanoate?
The IUPAC name of methyl 3-ethylimino-2-methylpropanoate (CID 123326483) is methyl 3-ethylimino-2-methylpropanoate.
What is the SMILES notation for methyl 3-ethylimino-2-methylpropanoate?
The canonical SMILES for methyl 3-ethylimino-2-methylpropanoate is CC/N=C/C(C)C(=O)OC.
What is the InChIKey of methyl 3-ethylimino-2-methylpropanoate?
The InChIKey is HFRUWIUKRHYLBX-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-8-5-6(2)7(9)10-3/h5-6H,4H2,1-3H3/b8-5+.
What are the key properties of methyl 3-ethylimino-2-methylpropanoate?
methyl 3-ethylimino-2-methylpropanoate has a molecular weight of 143.19 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethylimino-2-methylpropanoate is sourced from PubChem (CID 123326483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).