methyl 2-methyl-3-methyliminopropanoate

C6H11NO2 — CID 91554944

IUPACmethyl 2-methyl-3-methyliminopropanoate
SMILESC/N=C/C(C)C(=O)OC
InChIInChI=1S/C6H11NO2/c1-5(4-7-2)6(8)9-3/h4-5H,1-3H3/b7-4+
InChIKeyKPHCDHUSJUDLHH-QPJJXVBHSA-N
MW129.16 g/mol
LogP0.50
Rot. Bonds2

About methyl 2-methyl-3-methyliminopropanoate

methyl 2-methyl-3-methyliminopropanoate (PubChem CID 91554944) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 2-methyl-3-methyliminopropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-methyliminopropanoate
PubChem CID91554944
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 2-methyl-3-methyliminopropanoate
SMILESC/N=C/C(C)C(=O)OC
InChIInChI=1S/C6H11NO2/c1-5(4-7-2)6(8)9-3/h4-5H,1-3H3/b7-4+
InChIKeyKPHCDHUSJUDLHH-QPJJXVBHSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-methyliminopropanoate?
The IUPAC name of methyl 2-methyl-3-methyliminopropanoate (CID 91554944) is methyl 2-methyl-3-methyliminopropanoate.
What is the SMILES notation for methyl 2-methyl-3-methyliminopropanoate?
The canonical SMILES for methyl 2-methyl-3-methyliminopropanoate is C/N=C/C(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-3-methyliminopropanoate?
The InChIKey is KPHCDHUSJUDLHH-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(4-7-2)6(8)9-3/h4-5H,1-3H3/b7-4+.
What are the key properties of methyl 2-methyl-3-methyliminopropanoate?
methyl 2-methyl-3-methyliminopropanoate has a molecular weight of 129.16 g/mol, XLogP of 0.50, 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-methyliminopropanoate is sourced from PubChem (CID 91554944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).