tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate

C11H21NO3 — CID 91758945

IUPACtert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate
SMILESCCC1(CO)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21NO3/c1-5-11(8-13)6-12(7-11)9(14)15-10(2,3)4/h13H,5-8H2,1-4H3
InChIKeyUZGKJBDWKKBQKC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.63
Rot. Bonds2

About tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate

tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate (PubChem CID 91758945) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate
PubChem CID91758945
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate
SMILESCCC1(CO)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21NO3/c1-5-11(8-13)6-12(7-11)9(14)15-10(2,3)4/h13H,5-8H2,1-4H3
InChIKeyUZGKJBDWKKBQKC-UHFFFAOYSA-N
XLogP1.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate (CID 91758945) is tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate is CCC1(CO)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate?
The InChIKey is UZGKJBDWKKBQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-11(8-13)6-12(7-11)9(14)15-10(2,3)4/h13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate?
tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate is sourced from PubChem (CID 91758945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).