1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-amino-3-(1H-indol-3-yl)propan-1-ol

2.1.2 InChI

InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m1/s1

2.1.3 InChI Key

UDQCRUSSQAXPJY-SECBINFHSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=CN2)CC(CO)N

2.1.5 Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](CO)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 52485-52-6

2. (r)-2-amino-3-(1h-indol-3-yl)propan-1-ol

3. (2r)-2-amino-3-(1h-indol-3-yl)propan-1-ol

4. (r)-2-amino-3-(1h-indol-3-yl)-propan-1-ol

5. R-tryptophanol

6. (d)-tryptophanol

7. (r)-tryptophanol

8. D-tryptophanol, 97%

9. Schembl1177116

10. Chembl1222397

11. Dtxsid70370101

12. Zinc403177

13. Act04165

14. Mfcd00270220

15. Akos000301896

16. Cs-w015884

17. As-56553

18. 85t526

19. A51089

20. (2r)-2-amino-3-(1h-indol-3-yl)-propan-1-ol

21. A829109

22. (r)-2-amino-3-(1h-indol-3-yl)-propan-1-ol; Oxalic Acid Salt

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄N₂O
Molecular Weight	190.24 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	190.110613074 g/mol
Monoisotopic Mass	190.110613074 g/mol
Topological Polar Surface Area	62 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	186
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

D-Tryptophanol