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Also known as: 106910-77-4, D-n-benzylserine, N-benzyl-d-serine, (2r)-2-(benzylamino)-3-hydroxypropanoic acid, D-serine, n-(phenylmethyl)-, Mfcd12198844
Molecular Formula
C10H13NO3
Molecular Weight
195.21  g/mol
InChI Key
CTSBUHPWELFRGB-SECBINFHSA-N

CAS 106910-77-4
1 2D Structure

CAS 106910-77-4

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 Weight 195.21 g/mol
Molecular Formula C10H13NO3
XLogP3-1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass195.08954328 g/mol
Monoisotopic Mass195.08954328 g/mol
Topological Polar Surface Area69.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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