tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate

C10H17NO3 — CID 130204248

IUPACtert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)C2CC21
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-5-8(12)6-4-7(6)11/h6-8,12H,4-5H2,1-3H3
InChIKeyLALGCXBOUFABRE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.99
Rot. Bonds

About tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate

tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate (PubChem CID 130204248) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate
PubChem CID130204248
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)C2CC21
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-5-8(12)6-4-7(6)11/h6-8,12H,4-5H2,1-3H3
InChIKeyLALGCXBOUFABRE-UHFFFAOYSA-N
XLogP0.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ditert-butyl 3-hydroxy-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole-1,5-dicarboxylate
CID 10664049
tert-butyl 3-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxylate
CID 130003112
(1R,4R,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-4-carboxylic acid
CID 124710107
tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate
CID 130337237
2-O-tert-butyl 4-O-methyl (1S,4S,5R)-2-azabicyclo[3.1.0]hexane-2,4-dicarboxylate
CID 129465524
tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 131017793
tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
CID 99770590
tert-butyl (1S,4S)-5-hydroxy-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 155891978
tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate
CID 68963083
tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate
CID 58739344
tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate
CID 131162965
tert-butyl 4-hydroxy-7-azabicyclo[4.2.0]octane-7-carboxylate
CID 58739328

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate (CID 130204248) is tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate is CC(C)(C)OC(=O)N1CC(O)C2CC21.
What is the InChIKey of tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate?
The InChIKey is LALGCXBOUFABRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-5-8(12)6-4-7(6)11/h6-8,12H,4-5H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate?
tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate is sourced from PubChem (CID 130204248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).