tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate

C19H28N2O2 — CID 129391344

IUPACtert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C19H28N2O2/c1-18(2,3)23-17(22)20-13-19-10-9-16(19)12-21(14-19)11-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,20,22)/t16-,19+/m1/s1
InChIKeyPOJQCEIJSJPWMX-APWZRJJASA-N
MW316.45 g/mol
LogP3.42
Rot. Bonds4

About tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate

tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate (PubChem CID 129391344) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate
PubChem CID129391344
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C19H28N2O2/c1-18(2,3)23-17(22)20-13-19-10-9-16(19)12-21(14-19)11-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,20,22)/t16-,19+/m1/s1
InChIKeyPOJQCEIJSJPWMX-APWZRJJASA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate (CID 129391344) is tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(Cc1ccccc1)C2.
What is the InChIKey of tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate?
The InChIKey is POJQCEIJSJPWMX-APWZRJJASA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2,3)23-17(22)20-13-19-10-9-16(19)12-21(14-19)11-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,20,22)/t16-,19+/m1/s1.
What are the key properties of tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate?
tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate has a molecular weight of 316.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate is sourced from PubChem (CID 129391344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).