4CH-011682

1 2D Structure

4CH-011682

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate

2.1.2 InChI

InChI=1S/C9H17NO3/c1-8(2,3)13-7(11)10-5-9(4,12)6-10/h12H,5-6H2,1-4H3

2.1.3 InChI Key

DBJZEDYSQQXOOF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(CN(C1)C(=O)OC(C)(C)C)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1104083-23-9

2. 1-boc-3-hydroxy-3-methylazetidine

3. 3-hydroxy-3-methyl-azetidine-1-carboxylic Acid Tert-butyl Ester

4. Mfcd16037112

5. 1-azetidinecarboxylic Acid, 3-hydroxy-3-methyl-,1,1-dimethylethyl Ester

6. Tert-butyl3-hydroxy-3-methylazetidine-1-carboxylate

7. Amot0388

8. Lczc3893

9. Schembl2280402

10. Dtxsid50716462

11. N-boc-3-hydroxy-3-methylazetidine

12. Zinc72294354

13. Akos014316246

14. Cs-w022996

15. Ds-4509

16. Pb18150

17. Am802924

18. Sy042113

19. A894902

20. F8881-6254

21. Z1335657801

2.3 Create Date

2011-12-30

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₇NO₃
Molecular Weight	187.24 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	187.12084340 g/mol
Monoisotopic Mass	187.12084340 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	213
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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