tert-butyl 3-ethoxyazetidine-1-carboxylate

C10H19NO3 — CID 56777207

IUPACtert-butyl 3-ethoxyazetidine-1-carboxylate
SMILESCCOC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19NO3/c1-5-13-8-6-11(7-8)9(12)14-10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyNUFDXEJEAPMNNX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.64
Rot. Bonds2

About tert-butyl 3-ethoxyazetidine-1-carboxylate

tert-butyl 3-ethoxyazetidine-1-carboxylate (PubChem CID 56777207) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 3-ethoxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethoxyazetidine-1-carboxylate
PubChem CID56777207
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 3-ethoxyazetidine-1-carboxylate
SMILESCCOC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19NO3/c1-5-13-8-6-11(7-8)9(12)14-10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyNUFDXEJEAPMNNX-UHFFFAOYSA-N
XLogP1.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 3-hydroxyazetidine-1-carboxylate
CID 2756801
tert-Butyl 3-methoxyazetidine-1-carboxylate
CID 22243050
tert-Butyl 3-hydroxy-3-methylazetidine-1-carboxylate
CID 54751705
tert-butyl N-methyl-N-(oxiran-2-ylmethyl)carbamate
CID 15689285
Tert-butyl 3-(3-bromopropoxy)azetidine-1-carboxylate
CID 53484285
Tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate
CID 53484565
tert-Butyl 1-oxa-6-azaspiro[3.3]heptane-6-carboxylate
CID 54758968
Tert-butyl 3-[(chlorocarbonyl)oxy]azetidine-1-carboxylate
CID 57686683
Tert-butyl 3-(aminooxy)azetidine-1-carboxylate
CID 69224982
Tert-butyl 3-(2-aminoethoxy)azetidine-1-carboxylate
CID 69409413
Tert-butyl 3-(3-aminopropoxy)azetidine-1-carboxylate
CID 84043227
Tert-butyl 3-(carbamoyloxy)azetidine-1-carboxylate
CID 132353824

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethoxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-ethoxyazetidine-1-carboxylate (CID 56777207) is tert-butyl 3-ethoxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-ethoxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-ethoxyazetidine-1-carboxylate is CCOC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-ethoxyazetidine-1-carboxylate?
The InChIKey is NUFDXEJEAPMNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-13-8-6-11(7-8)9(12)14-10(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-ethoxyazetidine-1-carboxylate?
tert-butyl 3-ethoxyazetidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethoxyazetidine-1-carboxylate is sourced from PubChem (CID 56777207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).