chempirical

(S)-2-Hydroxy-4-(((phenylmethoxy)carbonyl)amino)butyric acid

C12H15NO5CAS 40371-50-4253.25 g/mol

Open in Covalent MOL file
OHOHONHOO
AlcoholCarboxylic acid

Properties

Molecular formula
C12H15NO5
Molar mass
253.25 g/mol
Exact mass
253.0950 Da
logP
0.95Crippen estimate
Polar surface area
99.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
40371-50-4
SMILES
O=C(O)[C@@H](O)CCN=C(O)OCc1ccccc1
InChIKey
ULKOBRDRCYROKY-JTQLQIEISA-N
InChI
InChI=1S/C12H15NO5/c14-10(11(15)16)6-7-13-12(17)18-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16)/t10-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • (2S)-2-Hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid
  • Butanoic acid, 2-hydroxy-4-[[(phenylmethoxy)carbonyl]amino]-, (2S)-
  • Butanoic acid, 2-hydroxy-4-[[(phenylmethoxy)carbonyl]amino]-, (S)-
  • L(-)-γ-Benzyloxycarbonylamino-α-hydroxybutyric acid
  • L-γ-Benzyloxycarbonylamino-α-hydroxybutyric acid
  • (S)-4-(Benzyloxycarbonylamino)-2-hydroxybutyric acid
  • (S)-2-Hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butyric acid
  • (S)-4-[(Benzyloxycarbonyl)amino]-2-hydroxybutanoic acid
  • (S)-N-Carbobenzyloxy-4-amino-2-hydroxybutyric acid
  • (s)-n-Cbz-4-amino-2-hydroxybutyric acid

Work with (S)-2-Hydroxy-4-(((phenylmethoxy)carbonyl)amino)butyric 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

N5-[(Phenylmethoxy)carbonyl]-L-ornithine3304-51-665 % similar ε-(Benzyloxycarbonyl)-L-lysine1155-64-264 % similar N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine405-39-064 % similar (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid252049-08-461 % similar N-(Benzyloxycarbonyl)-β-alanine2304-94-159 % similar 5-(Phenylmethyl) hydrogen N-((phenylmethoxy)carbonyl)-L-glutamate5680-86-458 % similar z-d-Glu(obzl)-oh59486-73-658 % similar (R)-2-Hydroxy-4-phenylbutyric acid29678-81-757 % 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 Z-Thr-OH19728-63-3 Z-D-Thr-oh80384-27-6

Elsewhere

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