methyl 2-(2-butan-2-yloxyethylimino)acetate

C9H17NO3 — CID 139818686

IUPACmethyl 2-(2-butan-2-yloxyethylimino)acetate
SMILESCCC(C)OCC/N=C/C(=O)OC
InChIInChI=1S/C9H17NO3/c1-4-8(2)13-6-5-10-7-9(11)12-3/h7-8H,4-6H2,1-3H3/b10-7+
InChIKeyMCSNEURKZWUQJF-JXMROGBWSA-N
MW187.24 g/mol
LogP1.05
Rot. Bonds6

About methyl 2-(2-butan-2-yloxyethylimino)acetate

methyl 2-(2-butan-2-yloxyethylimino)acetate (PubChem CID 139818686) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-(2-butan-2-yloxyethylimino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-butan-2-yloxyethylimino)acetate
PubChem CID139818686
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-(2-butan-2-yloxyethylimino)acetate
SMILESCCC(C)OCC/N=C/C(=O)OC
InChIInChI=1S/C9H17NO3/c1-4-8(2)13-6-5-10-7-9(11)12-3/h7-8H,4-6H2,1-3H3/b10-7+
InChIKeyMCSNEURKZWUQJF-JXMROGBWSA-N
XLogP1.05
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-butan-2-yloxyethylimino)acetate?
The IUPAC name of methyl 2-(2-butan-2-yloxyethylimino)acetate (CID 139818686) is methyl 2-(2-butan-2-yloxyethylimino)acetate.
What is the SMILES notation for methyl 2-(2-butan-2-yloxyethylimino)acetate?
The canonical SMILES for methyl 2-(2-butan-2-yloxyethylimino)acetate is CCC(C)OCC/N=C/C(=O)OC.
What is the InChIKey of methyl 2-(2-butan-2-yloxyethylimino)acetate?
The InChIKey is MCSNEURKZWUQJF-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-8(2)13-6-5-10-7-9(11)12-3/h7-8H,4-6H2,1-3H3/b10-7+.
What are the key properties of methyl 2-(2-butan-2-yloxyethylimino)acetate?
methyl 2-(2-butan-2-yloxyethylimino)acetate has a molecular weight of 187.24 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-butan-2-yloxyethylimino)acetate is sourced from PubChem (CID 139818686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).