loader
Please Wait
Applying Filters...

AbbVie AbbVie

X

Technical details about Boc-D-Serine Benzylamide, learn more about the structure, uses, toxicity, action, side effects and more

Client Email Product
Menu
2D Structure
1. 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

2D Structure

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 Weight 294.35 g/mol
Molecular Formula C15H22N2O4
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass294.15795719 g/mol
Monoisotopic Mass294.15795719 g/mol
Topological Polar Surface Area87.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Post Enquiry
POST ENQUIRY