tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate

C11H19NO3 — CID 131017793

IUPACtert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@@H]2O
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-5-4-7-8(12)6-9(7)13/h7-9,13H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyPBUPRYWYQIUHKS-HLTSFMKQSA-N
MW213.28 g/mol
LogP1.38
Rot. Bonds

About tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate

tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate (PubChem CID 131017793) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate
PubChem CID131017793
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@@H]2O
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-5-4-7-8(12)6-9(7)13/h7-9,13H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyPBUPRYWYQIUHKS-HLTSFMKQSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate?
The IUPAC name of tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate (CID 131017793) is tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate?
The canonical SMILES for tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@@H]2O.
What is the InChIKey of tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate?
The InChIKey is PBUPRYWYQIUHKS-HLTSFMKQSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-5-4-7-8(12)6-9(7)13/h7-9,13H,4-6H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate?
tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate is sourced from PubChem (CID 131017793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).