methyl 3-methyliminopentanoate

C7H13NO2 — CID 123281491

IUPACmethyl 3-methyliminopentanoate
SMILESCC/C(CC(=O)OC)=N\C
InChIInChI=1S/C7H13NO2/c1-4-6(8-2)5-7(9)10-3/h4-5H2,1-3H3/b8-6+
InChIKeyLSADYZYBDGTEED-SOFGYWHQSA-N
MW143.19 g/mol
LogP1.03
Rot. Bonds3

About methyl 3-methyliminopentanoate

methyl 3-methyliminopentanoate (PubChem CID 123281491) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 3-methyliminopentanoate.

Molecular Properties

Compound Namemethyl 3-methyliminopentanoate
PubChem CID123281491
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 3-methyliminopentanoate
SMILESCC/C(CC(=O)OC)=N\C
InChIInChI=1S/C7H13NO2/c1-4-6(8-2)5-7(9)10-3/h4-5H2,1-3H3/b8-6+
InChIKeyLSADYZYBDGTEED-SOFGYWHQSA-N
XLogP1.03
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 ≤ 51.03
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-fluoro-3-methyliminobutanoate
CID 137426867
methyl (4E)-4-hydroxyiminopentanoate
CID 230275
CID 5355080
CID 5355080
methyl (4Z)-4-hydroxyiminopentanoate
CID 6375785
Methyl 3-methyliminobutanoate
CID 6933507
Ethyl 3-(methylimino)butanoate
CID 12399140
Ethyl 2-methyliminobutanoate
CID 18322595
Methyl 4-iminopentanoate
CID 20188951
4-Ethyliminopentanoic acid
CID 20666902
Methyl 2-methyliminobutanoate
CID 20717772
Methyl 3-iminovalerate
CID 21426790
Methyl 3-propyliminobutanoate
CID 53736733

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyliminopentanoate?
The IUPAC name of methyl 3-methyliminopentanoate (CID 123281491) is methyl 3-methyliminopentanoate.
What is the SMILES notation for methyl 3-methyliminopentanoate?
The canonical SMILES for methyl 3-methyliminopentanoate is CC/C(CC(=O)OC)=N\C.
What is the InChIKey of methyl 3-methyliminopentanoate?
The InChIKey is LSADYZYBDGTEED-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(8-2)5-7(9)10-3/h4-5H2,1-3H3/b8-6+.
What are the key properties of methyl 3-methyliminopentanoate?
methyl 3-methyliminopentanoate has a molecular weight of 143.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyliminopentanoate is sourced from PubChem (CID 123281491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).