tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate

C11H19NO3 — CID 58739344

IUPACtert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC(O)CC21
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-7-4-8(13)5-9(7)12/h7-9,13H,4-6H2,1-3H3
InChIKeyYJEGSERHYUCLTJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.38
Rot. Bonds

About tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate

tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate (PubChem CID 58739344) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate
PubChem CID58739344
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC(O)CC21
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-7-4-8(13)5-9(7)12/h7-9,13H,4-6H2,1-3H3
InChIKeyYJEGSERHYUCLTJ-UHFFFAOYSA-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

tert-butyl 4-hydroxy-7-azabicyclo[4.2.0]octane-7-carboxylate
CID 58739328
tert-butyl (1S,4S)-5-hydroxy-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 155891978
tert-butyl 5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 22594656
tert-butyl (3aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 69032277
tert-butyl 4-amino-2-azabicyclo[4.1.0]heptane-2-carboxylate
CID 117045380
tert-butyl (4R)-5-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 131091392
tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 130204248
(1S,2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 122533004
2-O-tert-butyl 5-O-methyl (1R,4S,5R)-2-azabicyclo[2.1.1]hexane-2,5-dicarboxylate
CID 130883440
tert-butyl 5-(aminomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 130003267
tert-butyl (1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 95396702
tert-butyl 3-acetyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
CID 126758495

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate (CID 58739344) is tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate is CC(C)(C)OC(=O)N1CC2CC(O)CC21.
What is the InChIKey of tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate?
The InChIKey is YJEGSERHYUCLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-7-4-8(13)5-9(7)12/h7-9,13H,4-6H2,1-3H3.
What are the key properties of tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate?
tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-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 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate is sourced from PubChem (CID 58739344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).