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5-Hydroxy Indoleacetylglycine

CAT: 0572-TRC-H943465-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H943465-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16606-62-5
Hazard Statement
No Data Available
Smiles
OC(=O)CNC(=O)Cc1c[nH]c2ccc(O)cc12
Molecular Formula
C12 H12 N2 O4
Molecular Weight
248.235
InChI
InChI=1S/C12H12N2O4/c15-8-1-2-10-9(4-8)7(5-13-10)3-11(16)14-6-12(17)18/h1-2,4-5,13,15H,3,6H2,(H,14,16)(H,17,18)
Additionnal Information
IUPAC name: 2-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]acetic acid
Shipping Conditions
Room Temperature

Chemical Information

5-Hydroxyindoleacetylglycine

5-hydroxyindoleacetylglycine is an N-acylglycine resulting from the formal condensation of the carboxy group of (5-hydroxyindol-3-yl)acetic acid with the amino group of glycine. It has a role as a rat metabolite. It is a N-acylglycine and a member of hydroxyindoles. It is functionally related to a (5-hydroxyindol-3-yl)acetic acid.

CAS Number16606-62-5
PubChem CID440806
IUPAC Name2-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]acetic acid
Molecular FormulaC12H12N2O4
Molecular Weight248.23
XLogP0.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity334
SMILES
C1=CC2=C(C=C1O)C(=CN2)CC(=O)NCC(=O)O
InChI
InChI=1S/C12H12N2O4/c15-8-1-2-10-9(4-8)7(5-13-10)3-11(16)14-6-12(17)18/h1-2,4-5,13,15H,3,6H2,(H,14,16)(H,17,18)
InChIKey
LFUCRBSGQMAKCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxyindoleacetylglycine
CAS: 16606-62-5
CID: 440806
Formula: C12H12N2O4
MW: 248.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.23
XLogP30.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass248.07970687
Monoisotopic Mass248.07970687
Topological Polar Surface Area102 Ų
Heavy Atom Count18
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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