tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate

C10H18N2O2 — CID 130337237

IUPACtert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2[C@H](N)C[C@@H]21
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-6-7(11)4-8(6)12/h6-8H,4-5,11H2,1-3H3/t6?,7-,8+/m1/s1
InChIKeyAMLIOPWKWUSZBK-VVXQKDJTSA-N
MW198.27 g/mol
LogP0.95
Rot. Bonds

About tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate

tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate (PubChem CID 130337237) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate
PubChem CID130337237
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nametert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2[C@H](N)C[C@@H]21
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-6-7(11)4-8(6)12/h6-8H,4-5,11H2,1-3H3/t6?,7-,8+/m1/s1
InChIKeyAMLIOPWKWUSZBK-VVXQKDJTSA-N
XLogP0.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 130204248
tert-butyl (1R,4S,6S)-6-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 124710459
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 (1S,4S,6S)-6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 124566027
tert-butyl (1R,4S,6S)-6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 118876806
tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate
CID 105441282
tert-butyl (1S,4S,5S)-5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 28820406
(1R,4R,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-4-carboxylic acid
CID 124710107
tert-butyl (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248
tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate
CID 170938178
2-O-tert-butyl 4-O-methyl (1S,4S,5R)-2-azabicyclo[3.1.0]hexane-2,4-dicarboxylate
CID 129465524

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate?
The IUPAC name of tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate (CID 130337237) is tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate.
What is the SMILES notation for tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate?
The canonical SMILES for tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate is CC(C)(C)OC(=O)N1CC2[C@H](N)C[C@@H]21.
What is the InChIKey of tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate?
The InChIKey is AMLIOPWKWUSZBK-VVXQKDJTSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-6-7(11)4-8(6)12/h6-8H,4-5,11H2,1-3H3/t6?,7-,8+/m1/s1.
What are the key properties of tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate?
tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate is sourced from PubChem (CID 130337237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).