1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-5-9(6-8-15)10(14)11(16)18-4/h9-10H,5-8,14H2,1-4H3

2.1.3 InChI Key

KCWQYYUIIOHOLI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(C(=O)OC)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 177948-33-3

2. Methyl 2-amino-2-(1-boc-4-piperidyl)acetate

3. Mfcd03425223

4. Methyl2-amino-2-(1-boc-4-piperidyl)acetate

5. Schembl3640119

6. Ampd00339

7. Cha94833

8. Am9210

9. Akos016003709

10. Ab14589

11. As-32116

12. Da-06380

13. Sy014441

14. Db-075395

15. Cs-0154750

16. A881436

17. 4-piperidineacetic Acid, Alpha-amino-1-[(1,1-dimethylethoxy)carbonyl]-, Methyl Ester

2.3 Create Date

2008-02-29

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₄N₂O₄
Molecular Weight	272.34 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	272.17360725 g/mol
Monoisotopic Mass	272.17360725 g/mol
Topological Polar Surface Area	81.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	330
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 177948-33-3