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Chemistry

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Also known as: 2-azaniumyl-3-(5-fluoro-1h-indol-3-yl)propanoate
Molecular Formula
C11H11FN2O2
Molecular Weight
222.22  g/mol
InChI Key
INPQIVHQSQUEAJ-UHFFFAOYSA-N

Dl-5-Fluorotryptophan
1 2D Structure

Dl-5-Fluorotryptophan

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-azaniumyl-3-(5-fluoro-1H-indol-3-yl)propanoate
2.1.2 InChI
InChI=1S/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)
2.1.3 InChI Key
INPQIVHQSQUEAJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1F)C(=CN2)CC(C(=O)[O-])[NH3+]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2-azaniumyl-3-(5-fluoro-1h-indol-3-yl)propanoate

2.3 Create Date
2009-05-14
3 Chemical and Physical Properties
Molecular Weight 222.22 g/mol
Molecular Formula C11H11FN2O2
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass222.08045576 g/mol
Monoisotopic Mass222.08045576 g/mol
Topological Polar Surface Area83.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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