tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate

C10H18BrNO3 — CID 53484565

IUPACtert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OCCBr)C1
InChIInChI=1S/C10H18BrNO3/c1-10(2,3)15-9(13)12-6-8(7-12)14-5-4-11/h8H,4-7H2,1-3H3
InChIKeyDXZWLAJPGMNMBR-UHFFFAOYSA-N
MW280.16 g/mol
LogP2.02
Rot. Bonds3

About tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate

tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate (PubChem CID 53484565) has the molecular formula C10H18BrNO3 and a molecular weight of 280.16 g/mol. Its IUPAC name is tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate
PubChem CID53484565
Molecular FormulaC10H18BrNO3
Molecular Weight280.16 g/mol
Exact Mass279.05
IUPAC Nametert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OCCBr)C1
InChIInChI=1S/C10H18BrNO3/c1-10(2,3)15-9(13)12-6-8(7-12)14-5-4-11/h8H,4-7H2,1-3H3
InChIKeyDXZWLAJPGMNMBR-UHFFFAOYSA-N
XLogP2.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(S)-tert-Butyl 2-(bromomethyl)morpholine-4-carboxylate
CID 69388802
tert-Butyl 3-methoxyazetidine-1-carboxylate
CID 22243050
Tert-butyl 3-(3-bromopropoxy)azetidine-1-carboxylate
CID 53484285
tert-Butyl 2-(bromomethyl)morpholine-4-carboxylate
CID 57418765
(R)-tert-Butyl 2-(bromomethyl)morpholine-4-carboxylate
CID 69389434
tert-Butyl (2-(2-bromoethoxy)ethyl)(methyl)carbamate
CID 130492424
Tert-butyl 3-(bromomethyl)-3-methoxyazetidine-1-carboxylate
CID 163236241
tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate
CID 86679272
Tert-butyl 3-(1-fluoroethoxy)azetidine-1-carboxylate
CID 134168088
Tert-butyl 3-(2-bromo-1,1-difluoroethoxy)azetidine-1-carboxylate
CID 177798751
Tert-butyl 3-(2-methoxyethoxy)azetidine-1-carboxylate
CID 17817387
tert-Butyl 3-(4-bromobutoxy)azetidine-1-carboxylate
CID 53484281

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate (CID 53484565) is tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(OCCBr)C1.
What is the InChIKey of tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate?
The InChIKey is DXZWLAJPGMNMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(13)12-6-8(7-12)14-5-4-11/h8H,4-7H2,1-3H3.
What are the key properties of tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate?
tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate has a molecular weight of 280.16 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate is sourced from PubChem (CID 53484565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).