chempirical

N-Benzylglycine ethyl ester

C11H15NO2CAS 6436-90-4193.25 g/mol

Open in Covalent MOL file
OONH
EsterSecondary amine

Properties

Molecular formula
C11H15NO2
Molar mass
193.25 g/mol
Exact mass
193.1103 Da
Boiling point
153–154 °C (at 13 Torr)
logP
1.34Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
6436-90-4
SMILES
CCOC(=O)CNCc1ccccc1
InChIKey
ULOLIZHBYWAICY-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3

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Names and synonyms

10 names
  • Glycine, N-(phenylmethyl)-, ethyl ester
  • Glycine, N-benzyl-, ethyl ester
  • Ethyl N-benzylglycinate
  • N-(Ethoxycarbonylmethyl)-N-benzylamine
  • N-(Phenylmethyl)glycine ethyl ester
  • N-Benzyl-O-ethylglycinate
  • Ethyl N-benzylglycine
  • (Benzylamino)acetic acid ethyl ester
  • Ethyl benzylaminoacetate
  • Ethyl 2-(benzylamino)acetate

Work with N-Benzylglycine ethyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(Phenylmethyl)-β-alanine ethyl ester23583-21-373 % similar Ethyl phenylacetate101-97-363 % similar N-Phenylglycine ethyl ester2216-92-462 % similar Ethyl 3-phenylpropanoate2021-28-561 % similar Diethyl iminodiacetate6290-05-759 % similar Ethyl 2-phenoxyacetate2555-49-951 % similar Ethylbenzylamine14321-27-850 % similar N-(Phenylmethyl)glycine17136-36-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 4-(dimethylamino)benzoate10287-53-3 β-Amino-4-ethylbenzenepropanoic acid117391-52-3 (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol163439-82-5 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-9 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-4 N,N-Diethyl-2-hydroxybenzamide19311-91-2 1-Methylethyl 3-amino-4-methylbenzoate21447-47-2 2-Dimethylaminoethyl benzoate2208-05-1

Elsewhere

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