Boc-D-serine benzylamide

Chemistry, 1 End Use API, 10 Related Intermediates

Manufacturers/Suppliers

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Also known as: 1253790-58-7, (r)-tert-butyl (1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl)carbamate, Tert-butyl (r)-(1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl)carbamate, Tert-butyl n-[(2r)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate, (r)-n-benzyl-2-(tert-butoxycarbonylamino)-3-hydroxypropionamide, Tert-butyl ((1r)-2-(benzylamino)-1-(hydroxymethyl)-2-oxoethyl)carbamate

Molecular Formula

C₁₅H₂₂N₂O₄

Molecular Weight

294.35 g/mol

InChI Key

CTFYHNRRPGOYJS-GFCCVEGCSA-N

1 2D Structure

Boc-D-Serine Benzylamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-12(10-18)13(19)16-9-11-7-5-4-6-8-11/h4-8,12,18H,9-10H2,1-3H3,(H,16,19)(H,17,20)/t12-/m1/s1

2.1.3 InChI Key

CTFYHNRRPGOYJS-GFCCVEGCSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(CO)C(=O)NCC1=CC=CC=C1

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC1=CC=CC=C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1253790-58-7

2. (r)-tert-butyl (1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl)carbamate

3. Tert-butyl (r)-(1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl)carbamate

4. Tert-butyl N-[(2r)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

5. (r)-n-benzyl-2-(tert-butoxycarbonylamino)-3-hydroxypropionamide

6. Tert-butyl ((1r)-2-(benzylamino)-1-(hydroxymethyl)-2-oxoethyl)carbamate

7. Tert-butyl [(1r)-2-(benzylamino)-1-(hydroxymethyl)-2-oxoethyl]carbamate

8. Starbld0009742

9. Unii-x3x7nb6x9e

10. X3x7nb6x9e

11. Schembl42634

12. Tert-butyl N-[(1r)-1-(benzylcarbamoyl)-2-hydroxyethyl]carbamate

13. Zinc49582111

14. Cs-16548

15. Cs-0100204

16. D76083

17. (r)-tert-butyl 1-(benzylamino)-3-hydroxy-1-oxopropan-2-ylcarbamate

18. Tert-butyl [(2r)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

19. Tert-butyl [(r)-2-(benzylamino)-1-(hydroxymethyl)-2-oxoethyl]carbamate

20. 1,1-dimethylethyl N-((1r)-1-(hydroxymethyl)-2-oxo-2-((phenylmethyl)amino)ethyl)carbamate

21. Carbamic Acid, N-((1r)-1-(hydroxymethyl)-2-oxo-2-((phenylmethyl)amino)ethyl)-, 1,1-dimethylethyl Ester

2.3 Create Date

2010-07-06

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₂N₂O₄
Molecular Weight	294.35 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	294.15795719 g/mol
Monoisotopic Mass	294.15795719 g/mol
Topological Polar Surface Area	87.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	346
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	1