propan-2-yl 4-tert-butyliminobutanoate

C11H21NO2 — CID 23460804

IUPACpropan-2-yl 4-tert-butyliminobutanoate
SMILESCC(C)OC(=O)CC/C=N/C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)14-10(13)7-6-8-12-11(3,4)5/h8-9H,6-7H2,1-5H3/b12-8+
InChIKeyZGTZWKRITILANJ-XYOKQWHBSA-N
MW199.29 g/mol
LogP2.59
Rot. Bonds4

About propan-2-yl 4-tert-butyliminobutanoate

propan-2-yl 4-tert-butyliminobutanoate (PubChem CID 23460804) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propan-2-yl 4-tert-butyliminobutanoate.

Molecular Properties

Compound Namepropan-2-yl 4-tert-butyliminobutanoate
PubChem CID23460804
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropan-2-yl 4-tert-butyliminobutanoate
SMILESCC(C)OC(=O)CC/C=N/C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)14-10(13)7-6-8-12-11(3,4)5/h8-9H,6-7H2,1-5H3/b12-8+
InChIKeyZGTZWKRITILANJ-XYOKQWHBSA-N
XLogP2.59
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 ≤ 52.59
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 propan-2-yl 4-tert-butyliminobutanoate?
The IUPAC name of propan-2-yl 4-tert-butyliminobutanoate (CID 23460804) is propan-2-yl 4-tert-butyliminobutanoate.
What is the SMILES notation for propan-2-yl 4-tert-butyliminobutanoate?
The canonical SMILES for propan-2-yl 4-tert-butyliminobutanoate is CC(C)OC(=O)CC/C=N/C(C)(C)C.
What is the InChIKey of propan-2-yl 4-tert-butyliminobutanoate?
The InChIKey is ZGTZWKRITILANJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)14-10(13)7-6-8-12-11(3,4)5/h8-9H,6-7H2,1-5H3/b12-8+.
What are the key properties of propan-2-yl 4-tert-butyliminobutanoate?
propan-2-yl 4-tert-butyliminobutanoate has a molecular weight of 199.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-tert-butyliminobutanoate is sourced from PubChem (CID 23460804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).