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N-Cinnamylglycine

CAT: 0926-RAA53424-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-RAA53424-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16534-24-0
MDL Number
MFCD00136326
Smiles
C1=CC=C (C=C1) /C=C/C (=O) NCC (=O) O
Molecular Formula
C11H11NO3
Molecular Weight
205.21 g/mol
Controlled
No

Chemical Information

Cinnamoylglycine

N-cinnamoylglycine is an N-acylglycine in which the acyl group is specified as (2E)-3-phenylprop-2-enoyl (cinnamoyl). It has a role as a metabolite. It is a conjugate acid of a N-cinnamoylglycinate.

CAS Number16534-24-0
PubChem CID709625
IUPAC Name2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid
Molecular FormulaC11H11NO3
Molecular Weight205.21
XLogP1.2
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity255
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)O
InChI
InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+
InChIKey
YAADMLWHGMUGQL-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of Cinnamoylglycine
CAS: 16534-24-0
CID: 709625
Formula: C11H11NO3
MW: 205.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.21
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass205.07389321
Monoisotopic Mass205.07389321
Topological Polar Surface Area66.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity255
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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