chempirical

Z-Thr-oh

C12H15NO5CAS 19728-63-3253.25 g/mol

Open in Covalent MOL file
HONHOOOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C12H15NO5
Molar mass
253.25 g/mol
Exact mass
253.0950 Da
Melting point
103–104 °C
logP
0.95Crippen estimate
Polar surface area
99.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
19728-63-3
SMILES
C[C@@H](O)[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChIKey
IPJUIRDNBFZGQN-SCZZXKLOSA-N
InChI
InChI=1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • L-Threonine, N-[(phenylmethoxy)carbonyl]-
  • Threonine, N-carboxy-, N-benzyl ester, L-
  • N-[(Phenylmethoxy)carbonyl]-L-threonine
  • N-Carbobenzoxy-L-threonine
  • N-Benzyloxycarbonyl-L-threonine
  • Cbz-thr-OH
  • NSC 333749
  • N-Cbz-L-threonine
  • (2S,3R)-2-[(Benzyloxycarbonyl)amino]-3-hydroxybutanoic acid

Work with Z-Thr-oh

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]-L-threonine phenylmethyl ester16597-50-578 % similar Benzyloxycarbonyl-L-valine1149-26-477 % similar N-(Benzyloxycarbonyl)-dl-valine3588-63-477 % similar N-[(Phenylmethoxy)carbonyl]-L-isoleucine3160-59-671 % similar Phenylmethyl N-[(1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl]carbamate49705-98-870 % similar Benzyloxycarbonyl-L-alanine1142-20-769 % similar N-(Benzyloxycarbonyl)-dl-alanine4132-86-969 % similar (αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid69901-75-367 % similar

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

Same formula

(S)-2-(((Benzyloxy)carbonyl)amino)-3-hydroxy-2-methylpropanoic acid114396-70-2 N-[(Phenylmethoxy)carbonyl]-L-serine methyl ester1676-81-9 (2S)-2-Hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid40371-50-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook