(S)-2-(((Benzyloxy)carbonyl)amino)-3-hydroxy-2-methylpropanoic acid

C12H15NO5CAS 114396-70-2253.25 g/mol

Open in Covalent MOL file
OHOHONHOO
AlcoholCarbamateCarboxylic acid

Properties

Molecular formula
C12H15NO5
Molar mass
253.25 g/mol
Exact mass
253.0950 Da
logP
0.75Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

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
114396-70-2
SMILES
C[C@](CO)(C(=O)O)NC(=O)OCC1=CC=CC=C1
InChIKey
QPGOJGJGAWHTFS-LBPRGKRZSA-N
InChI
InChI=1S/C12H15NO5/c1-12(8-14,10(15)16)13-11(17)18-7-9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,13,17)(H,15,16)/t12-/m0/s1

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Names and synonyms

1 names
  • (S)-2-(Benzyloxycarbonylamino)-3-hydroxy-2-methylpropanoic acid

Work with (S)-2-(((Benzyloxy)carbonyl)amino)-3-hydroxy-2-methylpropanoic 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

Z-Aib-oh15030-72-568 % similar Benzyl (1-(hydroxymethyl)cyclopropyl)carbamate103500-22-762 % similar N-Boc-alpha-methyl-D-serine84311-18-258 % similar Fmoc-alpha-methyl-L-phe135944-05-756 % similar 4-Benzyloxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester288154-16-552 % similar Z-Phg-oh53990-33-351 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isovaline857478-30-951 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)-2-methylpropanoic acid1172127-44-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-[(Phenylmethoxy)carbonyl]-L-serine methyl ester1676-81-9 Z-Thr-OH19728-63-3 (S)-2-Hydroxy-4-(((phenylmethoxy)carbonyl)amino)butyric acid40371-50-4 Z-D-Thr-oh80384-27-6

Elsewhere

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