tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate

C13H25NO2 — CID 130927966

IUPACtert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate
SMILESCCC[C@@H]1[C@H](CC)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-6-8-11-10(7-2)9-14(11)12(15)16-13(3,4)5/h10-11H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyPJURWVRWJYRDHB-GHMZBOCLSA-N
MW227.35 g/mol
LogP3.43
Rot. Bonds3

About tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate

tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate (PubChem CID 130927966) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate
PubChem CID130927966
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate
SMILESCCC[C@@H]1[C@H](CC)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-6-8-11-10(7-2)9-14(11)12(15)16-13(3,4)5/h10-11H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyPJURWVRWJYRDHB-GHMZBOCLSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate
CID 163850757
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl (2S,4R,5R)-5-ethyl-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 156802017
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-propylpyrrolidine-1-carboxylate
CID 11085987
tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate
CID 102568585
tert-butyl (2R)-6-hydroxy-2-methyl-5-propylazepane-1-carboxylate
CID 170031405
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
(3S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpyrrolidine-3-carboxylic acid
CID 154575280
tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate
CID 140904862
tert-butyl (2R,3S)-2-[(1R)-1-hydroxy-3-methylbutyl]-3-propylaziridine-1-carboxylate
CID 101148746
tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate
CID 134791338
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-ethyl-2-propylazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate (CID 130927966) is tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate is CCC[C@@H]1[C@H](CC)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate?
The InChIKey is PJURWVRWJYRDHB-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-8-11-10(7-2)9-14(11)12(15)16-13(3,4)5/h10-11H,6-9H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate?
tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate is sourced from PubChem (CID 130927966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).