tert-butyl (2R)-2-aminoazetidine-1-carboxylate

C8H16N2O2 — CID 25417768

IUPACtert-butyl (2R)-2-aminoazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1N
InChIInChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-5-4-6(10)9/h6H,4-5,9H2,1-3H3/t6-/m1/s1
InChIKeyBAKFOMLJJXOWFU-ZCFIWIBFSA-N
MW172.23 g/mol
LogP0.91
Rot. Bonds

About tert-butyl (2R)-2-aminoazetidine-1-carboxylate

tert-butyl (2R)-2-aminoazetidine-1-carboxylate (PubChem CID 25417768) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is tert-butyl (2R)-2-aminoazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-aminoazetidine-1-carboxylate
PubChem CID25417768
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nametert-butyl (2R)-2-aminoazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1N
InChIInChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-5-4-6(10)9/h6H,4-5,9H2,1-3H3/t6-/m1/s1
InChIKeyBAKFOMLJJXOWFU-ZCFIWIBFSA-N
XLogP0.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate
CID 100654289
tert-butyl 3-amino-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 82381493
tert-butyl (2R)-2-methoxyazetidine-1-carboxylate
CID 174358225
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
tert-butyl 4-amino-2-cyclopropylpiperidine-1-carboxylate
CID 84800567
tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate
CID 84800571
1-O-tert-butyl 2-O-methyl 3-aminopyrrolidine-1,2-dicarboxylate;hydrochloride
CID 138115054
ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate
CID 90070662
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
CID 129408107
tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-aminoazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-aminoazetidine-1-carboxylate (CID 25417768) is tert-butyl (2R)-2-aminoazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-aminoazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-aminoazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1N.
What is the InChIKey of tert-butyl (2R)-2-aminoazetidine-1-carboxylate?
The InChIKey is BAKFOMLJJXOWFU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-5-4-6(10)9/h6H,4-5,9H2,1-3H3/t6-/m1/s1.
What are the key properties of tert-butyl (2R)-2-aminoazetidine-1-carboxylate?
tert-butyl (2R)-2-aminoazetidine-1-carboxylate has a molecular weight of 172.23 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-aminoazetidine-1-carboxylate is sourced from PubChem (CID 25417768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).