tert-butyl 2-carbazol-9-ylbutanoate

C20H23NO2 — CID 91602000

IUPACtert-butyl 2-carbazol-9-ylbutanoate
SMILESCCC(C(=O)OC(C)(C)C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C20H23NO2/c1-5-16(19(22)23-20(2,3)4)21-17-12-8-6-10-14(17)15-11-7-9-13-18(15)21/h6-13,16H,5H2,1-4H3
InChIKeyOXRWCDXVBKZNCW-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.09
Rot. Bonds3

About tert-butyl 2-carbazol-9-ylbutanoate

tert-butyl 2-carbazol-9-ylbutanoate (PubChem CID 91602000) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl 2-carbazol-9-ylbutanoate.

Molecular Properties

Compound Nametert-butyl 2-carbazol-9-ylbutanoate
PubChem CID91602000
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 2-carbazol-9-ylbutanoate
SMILESCCC(C(=O)OC(C)(C)C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C20H23NO2/c1-5-16(19(22)23-20(2,3)4)21-17-12-8-6-10-14(17)15-11-7-9-13-18(15)21/h6-13,16H,5H2,1-4H3
InChIKeyOXRWCDXVBKZNCW-UHFFFAOYSA-N
XLogP5.09
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-carbazol-9-ylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-carbazol-9-ylbutanoate?
The IUPAC name of tert-butyl 2-carbazol-9-ylbutanoate (CID 91602000) is tert-butyl 2-carbazol-9-ylbutanoate.
What is the SMILES notation for tert-butyl 2-carbazol-9-ylbutanoate?
The canonical SMILES for tert-butyl 2-carbazol-9-ylbutanoate is CCC(C(=O)OC(C)(C)C)n1c2ccccc2c2ccccc21.
What is the InChIKey of tert-butyl 2-carbazol-9-ylbutanoate?
The InChIKey is OXRWCDXVBKZNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-5-16(19(22)23-20(2,3)4)21-17-12-8-6-10-14(17)15-11-7-9-13-18(15)21/h6-13,16H,5H2,1-4H3.
What are the key properties of tert-butyl 2-carbazol-9-ylbutanoate?
tert-butyl 2-carbazol-9-ylbutanoate has a molecular weight of 309.41 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-carbazol-9-ylbutanoate is sourced from PubChem (CID 91602000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).