O-(Phenylmethyl)-D-serine

C10H13NO3CAS 10433-52-0195.22 g/mol

Open in Covalent MOL file
H2NOOHO
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C10H13NO3
Molar mass
195.22 g/mol
Exact mass
195.0895 Da
Melting point
212–213 °C
logP
0.62Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
10433-52-0
SMILES
N[C@H](COCc1ccccc1)C(=O)O
InChIKey
IDGQXGPQOGUGIX-SECBINFHSA-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-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • D-Serine, O-(phenylmethyl)-
  • Alanine, 3-(benzyloxy)-, D-
  • O-Benzyl-D-serine
  • (2R)-2-Azaniumyl-3-phenylmethoxypropanoate
  • (2R)-2-Amino-3-(benzyloxy)propanoic acid
  • (R)-2-Amino-3-(benzyloxy)propanoic acid

Work with O-(Phenylmethyl)-D-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-Benzyl-L-serine4726-96-9Enantiomer 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 5-(Pyrrolidin-1-ylmethyl)furan-2-carboxylic acid400750-49-4

Elsewhere

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