chempirical

(αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-thiazolepropanoic acid

C11H16N2O4SCAS 134107-69-0272.32 g/mol

Open in Covalent MOL file
OONHSNOHO
Carboxylic acid

Properties

Molecular formula
C11H16N2O4S
Molar mass
272.32 g/mol
Exact mass
272.0831 Da
logP
1.87Crippen estimate
Polar surface area
92.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
134107-69-0
SMILES
CC(C)(C)OC(O)=N[C@H](Cc1cscn1)C(=O)O
InChIKey
RVXBTZJECMMZSB-MRVPVSSYSA-N
InChI
InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-8(9(14)15)4-7-5-18-6-12-7/h5-6,8H,4H2,1-3H3,(H,13,16)(H,14,15)/t8-/m1/s1

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

Names and synonyms

5 names
  • 4-Thiazolepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
  • 4-Thiazolepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-
  • N-BOC-D-(4-thiazolyl)alanine
  • 2-(R)-tert-Butoxycarbonylamino-3-(thiazol-4-yl)propionic acid
  • (R)-2-((tert-Butoxycarbonyl)amino)-3-(thiazol-4-yl)propanoicacid

Work with (αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-thiazolepropanoic acid

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-tert-Butoxycarbonyl-D-phenylalanine18942-49-963 % similar Boc-L-tyrosine3978-80-162 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-860 % similar 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-259 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3,5-difluoro-L-phenylalanine205445-52-959 % similar N-(tert-Butoxycarbonyl)-D-4-chlorophenylalanine57292-44-159 % similar (2R)-2-(tert-Butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid57292-45-259 % similar N-tert-Butoxycarbonyl-4-iodo-L-phenylalanine62129-44-659 % similar

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

Same formula

Thienamycin59995-64-1

Elsewhere

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