2-(3-Phenylprop-2-enoylamino)acetic acid
Basic information
- CAS
16534-24-0- Standard SMILES
O=C(O)CNC(=O)C=Cc1ccccc1- InChIKey
YAADMLWHGMUGQL-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Overview
{[(2E)-3-Phenylprop-2-enoyl]amino}acetic acid is a N-acyl-amino acid.
Names & identifiers
- Preferred name
- 2-(3-Phenylprop-2-enoylamino)acetic acid
- IUPAC
- 2-(3-phenylprop-2-enoylamino)acetic acid
- English name
- cinnamoylglycine
- Molecular formula
- C11H11NO3
- Molecular weight
- 205.21
Names & synonyms
2-(3-phenylprop-2-enoylamino)acetic acid{[(2E)-3-phenylprop-2-enoyl]amino}acetic acidN-(3-Phenylprop-2-enoyl)glycineN-trans-Cinnamoylglycine (unlabelled)N-trans-CinnamoylglycineMaybridge3_005902SCHEMBL1558163CHEBI:181109AKOS022259878CinmoylglycinecinnamoylglycineN-CinnaMylglycine
Show more names
N-cinnamoylglycinateN-(CINNAMOYL)GLYCINE2-Cinnamamidoacetic acidN-Trans-cinnamoyl glycineN-trans-CinnaMoylglycine-2,2-d2Cinnamoylglycine, 10 mM in DMSO2-(3-Phenylacrylamido)acetic acid
Database identifiers
- CAS
16534-24-0- PubChem CID
- 152156
- DTXSID
DTXSID601316763- ChEBI
CHEBI:181109
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 197 °C · 197 °C
- Boiling point
- 495.1 · 495.1±45.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.69 · 3.69±0.10(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
UsesN-Cinnamylglycine is a derivative of ferulic acid (F308900), a widely distributed compound in plants that is used as an antioxidant and food preservative.
Usescinnamoylglycine is a derivative of ferulic acid (F308900), a widely distributed compound in plants that is used as an antioxidant and food preservative.
Additional notes
DefinitionChEBI: 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.
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