tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate

C9H16N2O2 — CID 105441282

IUPACtert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2C(N)C21
InChIInChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)11-4-5-6(10)7(5)11/h5-7H,4,10H2,1-3H3
InChIKeyRZGBGXKDLOYNKH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.56
Rot. Bonds

About tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate

tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate (PubChem CID 105441282) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate
PubChem CID105441282
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nametert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2C(N)C21
InChIInChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)11-4-5-6(10)7(5)11/h5-7H,4,10H2,1-3H3
InChIKeyRZGBGXKDLOYNKH-UHFFFAOYSA-N
XLogP0.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate
CID 130337237
2-O-tert-butyl 5-O-(chloromethyl) 2-azabicyclo[2.1.0]pentane-2,5-dicarboxylate
CID 165439812
tert-butyl (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248
tert-butyl (4R)-5-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 131091392
tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate
CID 82380938
tert-butyl (1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 95396702
tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768
tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 141407795
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate
CID 170938178
tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate
CID 100654289
tert-butyl 4-amino-2-azabicyclo[4.1.0]heptane-2-carboxylate
CID 117045380

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate?
The IUPAC name of tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate (CID 105441282) is tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate?
The canonical SMILES for tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate is CC(C)(C)OC(=O)N1CC2C(N)C21.
What is the InChIKey of tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate?
The InChIKey is RZGBGXKDLOYNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)11-4-5-6(10)7(5)11/h5-7H,4,10H2,1-3H3.
What are the key properties of tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate?
tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate has a molecular weight of 184.24 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate is sourced from PubChem (CID 105441282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).