O-Tert-Butyl-L-Serine Tert-Butyl Ester Hydrochloride

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Also known as: 51537-21-4, H-ser(tbu)-otbu.hcl, O-tert-butyl-l-serine tert-butyl ester hydrochloride, Tert-butyl o-(tert-butyl)-l-serinate hydrochloride, (s)-tert-butyl 2-amino-3-(tert-butoxy)propanoate hcl, Mfcd00034850

Molecular Formula

C₁₁H₂₄ClNO₃

Molecular Weight

253.76 g/mol

InChI Key

RDWZQVGVBTYCBD-QRPNPIFTSA-N

1 2D Structure

O-Tert-Butyl-L-Serine Tert-Butyl Ester Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride

2.1.2 InChI

InChI=1S/C11H23NO3.ClH/c1-10(2,3)14-7-8(12)9(13)15-11(4,5)6;/h8H,7,12H2,1-6H3;1H/t8-;/m0./s1

2.1.3 InChI Key

RDWZQVGVBTYCBD-QRPNPIFTSA-N

2.1.4 Canonical SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)N.Cl

2.1.5 Isomeric SMILES

CC(C)(C)OC[C@@H](C(=O)OC(C)(C)C)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 51537-21-4

2. H-ser(tbu)-otbu.hcl

3. O-tert-butyl-l-serine Tert-butyl Ester Hydrochloride

4. Tert-butyl O-(tert-butyl)-l-serinate Hydrochloride

5. (s)-tert-butyl 2-amino-3-(tert-butoxy)propanoate Hcl

6. Mfcd00034850

7. O-tert-butyl-l-serine Tert-butyl Ester Hcl

8. O-tert-butyl-l-serine T-butyl Ester Hydrochloride

9. H-l-ser(tbu)-otbu Hcl

10. Schembl318950

11. H-ser(tbu)-otbu Hydrochloride

12. Akos015998700

13. Cs-w014089

14. Ds-1815

15. Hy-w013373

16. O-t-butylserine-t-butyl Ester Hydrochloride

17. Am20100259

18. O-t-butyl-l-serine T-butyl Ester Hydrochloride

19. O-tert-butyl L-serine Tert-butyl Ester Hydrochloride

20. (s)-tert-butyl 2-amino-3-tert-butoxypropanoate Hydrochloride

21. Tert-butyl (2s)-2-amino-3-tert-butoxy-propanoate Hydrochloride

22. Tert-butyl (2s)-2-amino-3-(tert-butoxy)propanoate Hydrochloride

23. (s)-2-amino-3-tert-butoxy-propionic Acid Tert-butyl Ester Hydrochloride

24. O-tert-butyl-l-serine Tert-butyl Ester Hydrochloride, >=98.0% (at)

25. Tert-butyl (2s)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride

2.3 Create Date

2007-07-12

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₂₄ClNO₃
Molecular Weight	253.76 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	253.1444713 g/mol
Monoisotopic Mass	253.1444713 g/mol
Topological Polar Surface Area	61.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	213
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2