propyl 3-tert-butylimino-2-methylpropanoate

C11H21NO2 — CID 91113758

IUPACpropyl 3-tert-butylimino-2-methylpropanoate
SMILESCCCOC(=O)C(C)/C=N/C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-14-10(13)9(2)8-12-11(3,4)5/h8-9H,6-7H2,1-5H3/b12-8+
InChIKeyZVZAHXURQGEYSV-XYOKQWHBSA-N
MW199.29 g/mol
LogP2.44
Rot. Bonds4

About propyl 3-tert-butylimino-2-methylpropanoate

propyl 3-tert-butylimino-2-methylpropanoate (PubChem CID 91113758) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propyl 3-tert-butylimino-2-methylpropanoate.

Molecular Properties

Compound Namepropyl 3-tert-butylimino-2-methylpropanoate
PubChem CID91113758
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropyl 3-tert-butylimino-2-methylpropanoate
SMILESCCCOC(=O)C(C)/C=N/C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-14-10(13)9(2)8-12-11(3,4)5/h8-9H,6-7H2,1-5H3/b12-8+
InChIKeyZVZAHXURQGEYSV-XYOKQWHBSA-N
XLogP2.44
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.44
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 propyl 3-tert-butylimino-2-methylpropanoate?
The IUPAC name of propyl 3-tert-butylimino-2-methylpropanoate (CID 91113758) is propyl 3-tert-butylimino-2-methylpropanoate.
What is the SMILES notation for propyl 3-tert-butylimino-2-methylpropanoate?
The canonical SMILES for propyl 3-tert-butylimino-2-methylpropanoate is CCCOC(=O)C(C)/C=N/C(C)(C)C.
What is the InChIKey of propyl 3-tert-butylimino-2-methylpropanoate?
The InChIKey is ZVZAHXURQGEYSV-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-7-14-10(13)9(2)8-12-11(3,4)5/h8-9H,6-7H2,1-5H3/b12-8+.
What are the key properties of propyl 3-tert-butylimino-2-methylpropanoate?
propyl 3-tert-butylimino-2-methylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-tert-butylimino-2-methylpropanoate is sourced from PubChem (CID 91113758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).