O-(Phenylmethyl)serine

C10H13NO3CAS 5445-44-3195.22 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
213 °C (decomposes)
logP
0.62Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
5445-44-3
SMILES
NC(COCc1ccccc1)C(=O)O
InChIKey
IDGQXGPQOGUGIX-UHFFFAOYSA-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)

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Names and synonyms

10 names
  • Serine, O-(phenylmethyl)-
  • Alanine, 3-(benzyloxy)-, DL-
  • DL-Serine, O-(phenylmethyl)-
  • Benzyl-DL-serine
  • Alanine, 3-(phenylmethoxy)-
  • NSC 22028
  • 2-Amino-3-(benzyloxy)propanoic acid
  • 2-Amino-3-benzyloxy-propionic acid
  • 3-Benzyloxy-DL-alanine
  • 2-Amino-3-phenylmethoxypropanoic acid

Work with O-(Phenylmethyl)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-serine4726-96-9Defined stereoisomer O-(Phenylmethyl)-D-serine10433-52-0Defined stereoisomer

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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