1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-(benzylamino)-3-hydroxypropanoic acid

2.1.2 InChI

InChI=1S/C10H13NO3/c12-7-9(10(13)14)11-6-8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2,(H,13,14)/t9-/m1/s1

2.1.3 InChI Key

CTSBUHPWELFRGB-SECBINFHSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CNC(CO)C(=O)O

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)CN[C@H](CO)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 106910-77-4

2. D-n-benzylserine

3. N-benzyl-d-serine

4. (2r)-2-(benzylamino)-3-hydroxypropanoic Acid

5. D-serine, N-(phenylmethyl)-

6. Mfcd12198844

7. N-benzyl-d Serine

8. Bn-d-ser-oh

9. N-(phenylmethyl)-d-serine

10. N -(phenylmethyl)-d-serine

11. Schembl310937

12. Dtxsid10543337

13. Zinc399361

14. Ab10356

15. Ds-6049

16. Hy-w050784

17. Cs-0043104

18. (r)-2-(benzylamino)-3-hydroxypropanoicacid

19. (r)-2-(benzylamino)-3-hydroxypropanoic Acid (bzl-d-ser-oh)

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₃NO₃
Molecular Weight	195.21 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	195.08954328 g/mol
Monoisotopic Mass	195.08954328 g/mol
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	178
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

CAS 106910-77-4