chempirical

N-(Triphenylmethyl)-L-serine methyl ester

C23H23NO3CAS 4465-44-5361.44 g/mol

Open in Covalent MOL file
OOOHNH
AlcoholEsterSecondary amine

Properties

Molecular formula
C23H23NO3
Molar mass
361.44 g/mol
Exact mass
361.1678 Da
Melting point
125–131 °C
logP
3.10Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
4465-44-5
SMILES
COC(=O)[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
LXAWQKKSNNYYEK-NRFANRHFSA-N
InChI
InChI=1S/C23H23NO3/c1-27-22(26)21(17-25)24-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24-25H,17H2,1H3/t21-/m0/s1

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Names and synonyms

5 names
  • L-Serine, N-(triphenylmethyl)-, methyl ester
  • Serine, N-trityl-, methyl ester, L-
  • N-Tritylserine methyl ester
  • N-Trityl-L-serine methyl ester
  • Methyl (2S)-3-hydroxy-2-(tritylamino)propanoate

Work with N-(Triphenylmethyl)-L-serine methyl 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

Methyl (αS)-α-hydroxybenzenepropanoate13673-95-543 % similar (±)-Methyl mandelate4358-87-643 % similar Methyl α-phenylbenzeneacetate3469-00-943 % similar N-[(Phenylmethoxy)carbonyl]-L-serine methyl ester1676-81-943 % similar Methyl 1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride57060-88-542 % similar Phenylalanine methyl ester2577-90-440 % similar Methyl benzilate76-89-140 % similar Methyl α-cyclopentyl-α-hydroxybenzeneacetate19833-96-639 % similar

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

Elsewhere

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