methyl 2-(2-methylpropylideneamino)acetate

C7H13NO2 — CID 13125041

IUPACmethyl 2-(2-methylpropylideneamino)acetate
SMILESCOC(=O)C/N=C/C(C)C
InChIInChI=1S/C7H13NO2/c1-6(2)4-8-5-7(9)10-3/h4,6H,5H2,1-3H3/b8-4+
InChIKeyRAUNKMYYZRYQFZ-XBXARRHUSA-N
MW143.19 g/mol
LogP0.89
Rot. Bonds3

About methyl 2-(2-methylpropylideneamino)acetate

methyl 2-(2-methylpropylideneamino)acetate (PubChem CID 13125041) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 2-(2-methylpropylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropylideneamino)acetate
PubChem CID13125041
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 2-(2-methylpropylideneamino)acetate
SMILESCOC(=O)C/N=C/C(C)C
InChIInChI=1S/C7H13NO2/c1-6(2)4-8-5-7(9)10-3/h4,6H,5H2,1-3H3/b8-4+
InChIKeyRAUNKMYYZRYQFZ-XBXARRHUSA-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropylideneamino)acetate?
The IUPAC name of methyl 2-(2-methylpropylideneamino)acetate (CID 13125041) is methyl 2-(2-methylpropylideneamino)acetate.
What is the SMILES notation for methyl 2-(2-methylpropylideneamino)acetate?
The canonical SMILES for methyl 2-(2-methylpropylideneamino)acetate is COC(=O)C/N=C/C(C)C.
What is the InChIKey of methyl 2-(2-methylpropylideneamino)acetate?
The InChIKey is RAUNKMYYZRYQFZ-XBXARRHUSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(2)4-8-5-7(9)10-3/h4,6H,5H2,1-3H3/b8-4+.
What are the key properties of methyl 2-(2-methylpropylideneamino)acetate?
methyl 2-(2-methylpropylideneamino)acetate 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 2-(2-methylpropylideneamino)acetate is sourced from PubChem (CID 13125041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).