tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate

C11H22N2O2 — CID 163850757

IUPACtert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate
SMILESCC[C@@H]1[C@H](CN)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-9-8(6-12)7-13(9)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9-/m1/s1
InChIKeyOUDKZMQBDQCTIR-RKDXNWHRSA-N
MW214.31 g/mol
LogP1.59
Rot. Bonds2

About tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate

tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate (PubChem CID 163850757) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate
PubChem CID163850757
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate
SMILESCC[C@@H]1[C@H](CN)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-9-8(6-12)7-13(9)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9-/m1/s1
InChIKeyOUDKZMQBDQCTIR-RKDXNWHRSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate
CID 130927966
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl 3-(bromomethyl)-2-ethylpyrrolidine-1-carboxylate
CID 131021142
tert-butyl (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
tert-butyl (2S,4R,5R)-5-ethyl-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 156802017
tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 83851665
tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate
CID 140904862
tert-butyl (1R,2R,5S)-2-ethyl-6-methyl-6-(trideuteriomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 88949893
tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 131124333
tert-butyl 3-ethyl-2-(methoxymethyl)-4-prop-2-enylpyrrolidine-1-carboxylate
CID 142237925

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate (CID 163850757) is tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate is CC[C@@H]1[C@H](CN)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate?
The InChIKey is OUDKZMQBDQCTIR-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-9-8(6-12)7-13(9)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate?
tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate is sourced from PubChem (CID 163850757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).