O-Benzyl-L-serine

C₁₀H₁₃NO₃CAS 4726-96-9195.22 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₁₀H₁₃NO₃
Molar mass: 195.22 g/mol
Exact mass: 195.0895 Da
Melting point: 218 °C
logP: 0.62Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4726-96-9

SMILES

N[C@@H](COCc1ccccc1)C(=O)O

InChIKey

IDGQXGPQOGUGIX-VIFPVBQESA-N

InChI

InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

L-Serine, O-(phenylmethyl)-
Alanine, 3-(benzyloxy)-, L-
O-(Phenylmethyl)-L-serine
3-(Benzyloxy)-L-alanine
O-Benzylserine
L-O-Benzylserine
(S)-2-Amino-3-(benzyloxy)propanoic acid
(S)-2-Amino-3-benzyloxypropionic acid
(2S)-2-Azaniumyl-3-phenylmethoxypropanoate
(2S)-2-Amino-3-(benzyloxy)propanoic acid

Work with O-Benzyl-L-serine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

O-(Phenylmethyl)-D-serine10433-52-0Enantiomer O-(Phenylmethyl)serine5445-44-3Stereo not defined

Similar compounds

DL-Phenylalanine150-30-164 % similar Phenylalanine63-91-264 % similar D-Phenylalanine673-06-364 % similar H-D-Asp(obzl)-oh13188-89-163 % similar 4-(Phenylmethyl) hydrogen L-aspartate2177-63-163 % similar Dl-homophenylalanine1012-05-162 % similar D-Homophenylalanine82795-51-562 % similar L-Homophenylalanine943-73-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl L-tyrosinate1080-06-4 (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-7 (R)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-57-8 Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-9 4-tert-Butyl-2-nitrophenol3279-07-0 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4

Elsewhere

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