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Cinnamoylglycine

Cinnamoylglycine structure

CAS No:
16534-24-0
Formula:
C11H11NO3
Chemical Name:
Cinnamoylglycine
Synonyms:
Glycine,N-(1-oxo-3-phenyl-2-propen-1-yl)-;Glycine,N-(1-oxo-3-phenyl-2-propenyl)-;Glycine,N-cinnamoyl-;N-(1-Oxo-3-phenyl-2-propen-1-yl)glycine;Cinnamoylglycine;N-Cinnamoylglycine;N-Cinnamylglycine;2-(3-Phenylacrylamido)acetic acid;2-(3-Phenylprop-2-enamido)acetic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Cinnamoylglycine is a glycine conjugate of cinnamic acid and a urinary metabolite in human. Cinnamoylglycine is used as a potential urinary biomarker indicating intact or disrupted colonization resistance during and after antibiotic treatment[1].

Solid

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.

Cinnamoylglycine Basic Attributes

Molecular Weight：

205.21000

Exact Mass：

205.21

HScode：

2924299090

Characteristics

PSA：

69.89000

XLogP3：

1.09

Density：

1.3±0.1 g/cm3

Melting Point：

197 °C

Boiling Point：

495.1±45.0 °C at 760 mmHg

Flash Point：

253.3±28.7 °C

Refractive Index：

1.607

Storage Conditions：

2-8°C

Vapor Pressure：

1.27E-10mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

cinnamoylglycine

Cinnamoylglycine Use and Manufacturing

N-Cinnamylglycine is a derivative of ferulic acid (F308900), a widely distributed compound in plants that is used as an antioxidant and food preservative.

Computed Properties

Molecular Weight:205.21
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:205.07389321
Monoisotopic Mass:205.07389321
Topological Polar Surface Area:66.4
Heavy Atom Count:15
Complexity:255
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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