tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate

C10H17NO3 — CID 58697632

IUPACtert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1[C@H]1CO1
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-4-7(11)8-6-13-8/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyGPWZRRLZDMHWAD-HTQZYQBOSA-N
MW199.25 g/mol
LogP1.39
Rot. Bonds1

About tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate

tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate (PubChem CID 58697632) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate
PubChem CID58697632
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1[C@H]1CO1
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-4-7(11)8-6-13-8/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyGPWZRRLZDMHWAD-HTQZYQBOSA-N
XLogP1.39
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(oxiran-2-yl)piperidine-1-carboxylate
CID 102537761
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tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl (3aS,6aS)-2-oxo-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrole-4-carboxylate
CID 11492323
[(3R,3aS,6aR)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]-chloromercury
CID 10972363
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
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CID 84800567
tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573
tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 131017793
(2S,4S)-2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 146148517
2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 83903170
tert-butyl (4aR,7aS)-6-oxo-2,3,4a,5,7,7a-hexahydrocyclopenta[b][1,4]oxazine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate (CID 58697632) is tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1[C@H]1CO1.
What is the InChIKey of tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate?
The InChIKey is GPWZRRLZDMHWAD-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-4-7(11)8-6-13-8/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate?
tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate is sourced from PubChem (CID 58697632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).