methyl 2-methyl-3-methyliminobutanoate

C7H13NO2 — CID 123161333

IUPACmethyl 2-methyl-3-methyliminobutanoate
SMILESC/N=C(\C)C(C)C(=O)OC
InChIInChI=1S/C7H13NO2/c1-5(6(2)8-3)7(9)10-4/h5H,1-4H3/b8-6+
InChIKeyLQSWNHXMXDEBNG-SOFGYWHQSA-N
MW143.19 g/mol
LogP0.89
Rot. Bonds2

About methyl 2-methyl-3-methyliminobutanoate

methyl 2-methyl-3-methyliminobutanoate (PubChem CID 123161333) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 2-methyl-3-methyliminobutanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-methyliminobutanoate
PubChem CID123161333
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 2-methyl-3-methyliminobutanoate
SMILESC/N=C(\C)C(C)C(=O)OC
InChIInChI=1S/C7H13NO2/c1-5(6(2)8-3)7(9)10-4/h5H,1-4H3/b8-6+
InChIKeyLQSWNHXMXDEBNG-SOFGYWHQSA-N
XLogP0.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

2-Methyl-4-isopropyl-5-oxazolone
CID 129812755
Methyl 2-fluoro-3-methyliminobutanoate
CID 137426867
4-Isopropyl-5-oxazolone
CID 44475807
Methyl 3-methyliminobutanoate
CID 6933507
Ethyl 3-(methylimino)butanoate
CID 12399140
Ethyl 2-methyl-3-methyliminobutanoate
CID 12399141
Methyl 2-imino-3-methylbutanoate
CID 16184518
Ethyl 2-methyliminobutanoate
CID 18322595
Methyl 2-methyliminobutanoate
CID 20717772
methyl (3E)-3-hydroxyimino-2-methylbutanoate
CID 22946398
Methyl 3-propyliminobutanoate
CID 53736733
Propyl 3-methyliminobutanoate
CID 53738329

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-methyliminobutanoate?
The IUPAC name of methyl 2-methyl-3-methyliminobutanoate (CID 123161333) is methyl 2-methyl-3-methyliminobutanoate.
What is the SMILES notation for methyl 2-methyl-3-methyliminobutanoate?
The canonical SMILES for methyl 2-methyl-3-methyliminobutanoate is C/N=C(\C)C(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-3-methyliminobutanoate?
The InChIKey is LQSWNHXMXDEBNG-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(6(2)8-3)7(9)10-4/h5H,1-4H3/b8-6+.
What are the key properties of methyl 2-methyl-3-methyliminobutanoate?
methyl 2-methyl-3-methyliminobutanoate has a molecular weight of 143.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-methyliminobutanoate is sourced from PubChem (CID 123161333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).