N-tert-Butoxycarbonyl-O-benzylserine

C15H21NO5CAS 23680-31-1295.34 g/mol

Open in Covalent MOL file
OONHOOHO
Carboxylic acidEther

Properties

Molecular formula
C15H21NO5
Molar mass
295.34 g/mol
Exact mass
295.1420 Da
Melting point
79 °C
logP
2.39Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
23680-31-1
SMILES
CC(C)(C)OC(O)=N[C@@H](COCc1ccccc1)C(=O)O
InChIKey
DMBKPDOAQVGTST-LBPRGKRZSA-N
InChI
InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1

Weigh it out

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

Names and synonyms

20 names · show all
  • L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
  • Alanine, 3-(benzyloxy)-N-carboxy-, N-tert-butyl ester, L-
  • N-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-serine
  • O-Benzyl-N-tert-butoxycarbonyl-L-serine
  • tert-Butoxycarbonyl-O-benzyl-L-serine
  • O-Benzyl-N-(tert-butyloxycarbonyl)serine
  • N-tert-Butoxycarbonyl-O-benzyl-L-serine
  • tert-Butoxycarbonyl-O-benzylserine
  • N-tert-Butyloxycarbonyl-O-benzyl-L-serine
  • N-(tert-Butoxycarbonyl)serine benzyl ether
  • BOC-O-benzylserine
  • NSC 334364
  • (2S)-3-(Benzyloxy)-2-[(tert-butoxycarbonyl)amino]propanoic acid
  • (S)-3-[(Benzyl)oxy]-2-[(tert-butoxycarbonyl)amino]propionic acid
  • (S)-3-(Benzyloxy)-2-(tert-butoxycarbonylamino)propanoic acid
  • O-Benzyl-N-(tert-butoxycarbonyl)-L-serine
  • Boc-L-ser(bn)OH
  • (2S)-3-(Benzyloxy)-2-[[(tert-butoxy)carbonyl]amino]propanoic acid
  • (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoic acid
  • (2S)-3-Benzyloxy-2-(tert-butoxycarbonylamino)propanoic acid

Work with N-tert-Butoxycarbonyl-O-benzylserine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-8Enantiomer

Similar compounds

Boc-L-phenylalanine13734-34-474 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-974 % similar N-((Phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-serine20806-43-372 % similar O-Benzyl-N-((tert-butoxy)carbonyl)-L-tyrosine2130-96-372 % similar N-tert-Butoxycarbonyl-L-aspartic acid β-benzyl ester7536-58-571 % similar 5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-570 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-phenylalanine13122-90-267 % similar N-tert-Butoxycarbonyl-S-benzyl-L-cysteine5068-28-067 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl (αR,βS)-β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoate124605-42-1 Boc-D-ser-obzl141527-78-8 O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-serine1676-75-1 Boc-homo-L-tyrosine198473-94-8 3-(Boc-amino)-3-(3-methoxyphenyl)propionic acid284493-53-4 Boc-tyr-OMe4326-36-7 Boc-O-methyl-L-tyrosine53267-93-9

Elsewhere

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