methyl 2-methyliminobutanoate

C6H11NO2 — CID 20717772

IUPACmethyl 2-methyliminobutanoate
SMILESCC/C(=N\C)C(=O)OC
InChIInChI=1S/C6H11NO2/c1-4-5(7-2)6(8)9-3/h4H2,1-3H3/b7-5+
InChIKeyBEFAIZFLGFTFGC-FNORWQNLSA-N
MW129.16 g/mol
LogP0.64
Rot. Bonds2

About methyl 2-methyliminobutanoate

methyl 2-methyliminobutanoate (PubChem CID 20717772) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 2-methyliminobutanoate.

Molecular Properties

Compound Namemethyl 2-methyliminobutanoate
PubChem CID20717772
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 2-methyliminobutanoate
SMILESCC/C(=N\C)C(=O)OC
InChIInChI=1S/C6H11NO2/c1-4-5(7-2)6(8)9-3/h4H2,1-3H3/b7-5+
InChIKeyBEFAIZFLGFTFGC-FNORWQNLSA-N
XLogP0.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.64
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 (2Z)-2-hydroxyiminobutanoate
CID 19738587
methyl 4-methyl-2-methyliminopentanoate
CID 123195850
methyl (2Z)-2-ethoxyiminobutanoate
CID 20717769
dimethyl oxalate
CID 11120
dimethyl oxalate;hydrochloride
CID 172754902
hydron;methyl 2-methylidenebutanoate
CID 174760127
dimethyl (2E)-2-methoxyiminobutanedioate
CID 5365394
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
diethyl 2-methyliminopropanedioate
CID 86205419
2-O-(ethylamino) 1-O-methyl oxalate
CID 121410359
dimethyl (2E)-2-methoxyiminopentanedioate
CID 5365354
methyl 2-(methylideneamino)-2-methyliminoacetate
CID 144794010

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyliminobutanoate?
The IUPAC name of methyl 2-methyliminobutanoate (CID 20717772) is methyl 2-methyliminobutanoate.
What is the SMILES notation for methyl 2-methyliminobutanoate?
The canonical SMILES for methyl 2-methyliminobutanoate is CC/C(=N\C)C(=O)OC.
What is the InChIKey of methyl 2-methyliminobutanoate?
The InChIKey is BEFAIZFLGFTFGC-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-5(7-2)6(8)9-3/h4H2,1-3H3/b7-5+.
What are the key properties of methyl 2-methyliminobutanoate?
methyl 2-methyliminobutanoate has a molecular weight of 129.16 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyliminobutanoate is sourced from PubChem (CID 20717772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).