1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate

C11H19NO4 — CID 86335614

IUPAC1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
SMILESCCOC(=O)[C@H]1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-5-15-9(13)8-6-7-12(8)10(14)16-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyIKEVFCBVUFBCBE-MRVPVSSYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds2

About 1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate (PubChem CID 86335614) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
PubChem CID86335614
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
SMILESCCOC(=O)[C@H]1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-5-15-9(13)8-6-7-12(8)10(14)16-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyIKEVFCBVUFBCBE-MRVPVSSYSA-N
XLogP1.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 2-O-(chloromethyl) (2S)-azetidine-1,2-dicarboxylate
CID 171393356
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
1-O-tert-butyl 2-O-ethyl 4-pyrrolidin-1-ylpiperidine-1,2-dicarboxylate
CID 77265324
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
1-O-tert-butyl 2-O-ethyl 5-fluoropiperidine-1,2-dicarboxylate
CID 83855010
1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate
CID 15928262
1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate
CID 172763853
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
1-O-tert-butyl 2-O-ethyl (2R,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-1,2-dicarboxylate
CID 67586505
tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
CID 129408107
(2S)-3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 166842542
1-O-tert-butyl 2-O-ethyl (2S,3R)-3-cyclopropylpyrrolidine-1,2-dicarboxylate
CID 11748041

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate (CID 86335614) is 1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate is CCOC(=O)[C@H]1CCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate?
The InChIKey is IKEVFCBVUFBCBE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-15-9(13)8-6-7-12(8)10(14)16-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of 1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate is sourced from PubChem (CID 86335614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).