chempirical

N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine

C12H23NO5CAS 13734-38-8261.32 g/mol

Open in Covalent MOL file
ONHOOOOH
Carboxylic acidEther

Properties

Molecular formula
C12H23NO5
Molar mass
261.32 g/mol
Exact mass
261.1576 Da
logP
1.98Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
13734-38-8
SMILES
CC(C)(C)OC[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
BPYLRGKEIUPMRJ-QMMMGPOBSA-N
InChI
InChI=1S/C12H23NO5/c1-11(2,3)17-7-8(9(14)15)13-10(16)18-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)/t8-/m0/s1

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

Names and synonyms

8 names
  • L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-
  • Alanine, 3-tert-butoxy-N-carboxy-, N-tert-butyl ester, L-
  • N-tert-Butoxycarbonyl-O-tert-butyl-L-serine
  • (2S)-3-tert-Butoxy-2-[(tert-butoxycarbonyl)amino]propanoic acid
  • NSC 334309
  • 78: PN: WO2005023986 PAGE: 189 claimed protein
  • Boc-L-ser(OBu-t)-OH
  • (2S)-3-(tert-Butoxy)-2-[[(tert-butoxy)carbonyl]amino]propanoic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-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

L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-, compd. with N-cyclohexylcyclohexanamine (1:1)18942-50-277 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-D-serine86123-95-776 % similar Boc-L-serine3262-72-471 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-871 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-371 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-068 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-068 % similar Boc-L-leucine13139-15-668 % similar

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

Elsewhere

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