tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate

C20H30N2O3 — CID 134481878

IUPACtert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate
SMILESCO[C@H]1CC2CN([C@@H](C)c3ccccc3)C1[C@@H]2NC(=O)OC(C)(C)C
InChIInChI=1S/C20H30N2O3/c1-13(14-9-7-6-8-10-14)22-12-15-11-16(24-5)18(22)17(15)21-19(23)25-20(2,3)4/h6-10,13,15-18H,11-12H2,1-5H3,(H,21,23)/t13-,15?,16-,17+,18?/m0/s1
InChIKeyUSIQACVNVTUFNZ-QWOBMUORSA-N
MW346.47 g/mol
LogP3.36
Rot. Bonds4

About tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate

tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate (PubChem CID 134481878) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate
PubChem CID134481878
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nametert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate
SMILESCO[C@H]1CC2CN([C@@H](C)c3ccccc3)C1[C@@H]2NC(=O)OC(C)(C)C
InChIInChI=1S/C20H30N2O3/c1-13(14-9-7-6-8-10-14)22-12-15-11-16(24-5)18(22)17(15)21-19(23)25-20(2,3)4/h6-10,13,15-18H,11-12H2,1-5H3,(H,21,23)/t13-,15?,16-,17+,18?/m0/s1
InChIKeyUSIQACVNVTUFNZ-QWOBMUORSA-N
XLogP3.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate 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 N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate?
The IUPAC name of tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate (CID 134481878) is tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate is CO[C@H]1CC2CN([C@@H](C)c3ccccc3)C1[C@@H]2NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate?
The InChIKey is USIQACVNVTUFNZ-QWOBMUORSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13(14-9-7-6-8-10-14)22-12-15-11-16(24-5)18(22)17(15)21-19(23)25-20(2,3)4/h6-10,13,15-18H,11-12H2,1-5H3,(H,21,23)/t13-,15?,16-,17+,18?/m0/s1.
What are the key properties of tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate?
tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate has a molecular weight of 346.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate is sourced from PubChem (CID 134481878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).