1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate

C12H21NO5 — CID 59569551

IUPAC1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate
SMILESCOCC1(C(=O)OC)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-6-12(7-13,8-16-4)9(14)17-5/h6-8H2,1-5H3
InChIKeyUVUDUZZXFUTFNC-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.04
Rot. Bonds3

About 1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate (PubChem CID 59569551) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate
PubChem CID59569551
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate
SMILESCOCC1(C(=O)OC)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-6-12(7-13,8-16-4)9(14)17-5/h6-8H2,1-5H3
InChIKeyUVUDUZZXFUTFNC-UHFFFAOYSA-N
XLogP1.04
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate (CID 59569551) is 1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate is COCC1(C(=O)OC)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate?
The InChIKey is UVUDUZZXFUTFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-6-12(7-13,8-16-4)9(14)17-5/h6-8H2,1-5H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate has a molecular weight of 259.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-methyl 3-(methoxymethyl)azetidine-1,3-dicarboxylate is sourced from PubChem (CID 59569551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).