chempirical

O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-serine

C15H21NO5CAS 1676-75-1295.34 g/mol

Open in Covalent MOL file
ONHOOOOH
Carboxylic acidEther

Properties

Molecular formula
C15H21NO5
Molar mass
295.34 g/mol
Exact mass
295.1420 Da
Melting point
83.5–85 °C
logP
2.39Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1676-75-1
SMILES
CC(C)(C)OC[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChIKey
TXDGEONUWGOCJG-LBPRGKRZSA-N
InChI
InChI=1S/C15H21NO5/c1-15(2,3)21-10-12(13(17)18)16-14(19)20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1

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

Names and synonyms

9 names
  • L-Serine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-
  • Alanine, 3-tert-butoxy-N-carboxy-, N-benzyl ester, L-
  • Alanine, 3-tert-butoxy-N-carboxy-, N-benzyl ester
  • N-Carbobenzoxy-O-tert-butyl-L-serine
  • N-Benzyloxycarbonyl-O-tert-butyl-L-serine
  • N-Benzyloxycarbonyl-O-tert-butylserine
  • (2S)-2-{[(Benzyloxy)carbonyl]amino}-3-tert-butoxypropanoic acid
  • (S)-2-[(Benzyloxycarbonyl)amino]-3-tert-butoxypropionic acid
  • (2S)-3-[(2-Methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoic acid

Work with O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-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

Similar compounds

N-[(Phenylmethoxy)carbonyl]-O-(phenylmethyl)-L-serine20806-43-372 % similar 4-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate5545-52-871 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate3886-08-670 % similar N-[(Phenylmethoxy)carbonyl]norvaline21691-43-069 % similar N-[(Phenylmethoxy)carbonyl]-L-norvaline21691-44-169 % similar (2S)-2-[[(Phenylmethoxy)carbonyl]amino]butanoic acid42918-86-569 % similar O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine5545-54-069 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-368 % similar

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

Same formula

Methyl (αR,βS)-β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoate124605-42-1 Boc-D-ser-obzl141527-78-8 N-tert-Butoxycarbonyl-O-benzylserine23680-31-1

Elsewhere

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