tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate

C16H27NO2 — CID 91475157

IUPACtert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC1=CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H27NO2/c1-14(2,3)19-13(18)10-17-12-9-11-7-8-16(12,6)15(11,4)5/h9,11,17H,7-8,10H2,1-6H3
InChIKeyCFOJUQNPCRYCLT-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate

tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate (PubChem CID 91475157) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate
PubChem CID91475157
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Nametert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC1=CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H27NO2/c1-14(2,3)19-13(18)10-17-12-9-11-7-8-16(12,6)15(11,4)5/h9,11,17H,7-8,10H2,1-6H3
InChIKeyCFOJUQNPCRYCLT-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate 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-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate (CID 91475157) is tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate is CC(C)(C)OC(=O)CNC1=CC2CCC1(C)C2(C)C.
What is the InChIKey of tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate?
The InChIKey is CFOJUQNPCRYCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14(2,3)19-13(18)10-17-12-9-11-7-8-16(12,6)15(11,4)5/h9,11,17H,7-8,10H2,1-6H3.
What are the key properties of tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate?
tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate has a molecular weight of 265.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)amino]acetate is sourced from PubChem (CID 91475157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).