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Hypaphorine

CAT: 0926-FH74222-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FH74222-05Size:50 mg
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CAS Number
487-58-1
Synonyms
Tryptophan betaine
Smiles
C[N+] (C) (C) [C@@H] (CC1=CNC2=CC=CC=C21) C (=O) [O-]
Molecular Formula
C14H18N2O2
Molecular Weight
246.31 g/mol
Controlled
No

Chemical Information

Hypaphorine

Hypaphorine is an amino acid betaine obtaine by exhaustive methylation of the alpha-amino group of L-tryptophan with concomitant deprotonation of the carboxy group. It has a role as a xenobiotic, a plant metabolite and a fungal metabolite. It is an amino-acid betaine, an indole alkaloid and a L-tryptophan derivative.

CAS Number487-58-1
PubChem CID442106
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
Molecular FormulaC14H18N2O2
Molecular Weight246.30
XLogP2.9
Topological Polar Surface Area55.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity306
SMILES
C[N+](C)(C)[C@@H](CC1=CNC2=CC=CC=C21)C(=O)[O-]
InChI
InChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1
InChIKey
AOHCBEAZXHZMOR-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Hypaphorine
CAS: 487-58-1
CID: 442106
Formula: C14H18N2O2
MW: 246.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.30
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass246.136827821
Monoisotopic Mass246.136827821
Topological Polar Surface Area55.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-H998638-0.5MGHypaphorine
HY-N2179RHypaphorine (Standard)
371559Hypaphorine discontinued

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