Methylhippuric acid

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Systematic / IUPAC Name: Methyl 2-benzamidoacetate

ID: Reference490

Other Names: Hippuric acid, methyl ester;
Methyl (benzoylamino)acetate;
Hippurate methyl ester;
Glycine, N-benzoyl, methyl ester;
Methyl N-benzoylglycinate ; more

Formula: C10H11NO3

Class: Endogenous Metabolites

Spectral Data

Methylhippuric acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 245
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 10/11/2016 12:40:51 PM
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Identificators

InChI InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)
InChI Key XTKVNQKOTKPCKM-UHFFFAOYSA-N
Canonical SMILES COC(=O)CNC(=O)C1=CC=CC=C1
CAS 1205089
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Other Names Hippuric acid, methyl ester;
Methyl (benzoylamino)acetate;
Hippurate methyl ester;
Glycine, N-benzoyl, methyl ester;
Methyl N-benzoylglycinate;
Hippuric acid methyl ester;
N-Benzoylglycine methyl ester;
Methyl 2-(phenylformamido)acetate;
Benzoylglycine methyl ester;
Methyl hippurate;
Methyl benzoylglycinate;
Methyl benzoylaminoacetate;
Methyl 2-(benzoylamino)acetate;
Methyl N-(phenylcarbonyl)glycinate;
Methyl 2-(phenylcarbonylamino)acetate

In Other Databases

PubChem 14566
HMDb HMDB00859
ChemSpider 13907
ChEBI CHEBI:70869
ChemIDPlus 001205089
ChEMBL CHEMBL218718