chempirical

Boc-L-phenylalanine

C14H19NO4CAS 13734-34-4265.31 g/mol

Open in Covalent MOL file
OONHOHO
Carboxylic acid

Properties

Molecular formula
C14H19NO4
Molar mass
265.31 g/mol
Exact mass
265.1314 Da
Melting point
79–80 °C
logP
2.41Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13734-34-4
SMILES
CC(C)(C)OC(O)=N[C@@H](Cc1ccccc1)C(=O)O
InChIKey
ZYJPUMXJBDHSIF-NSHDSACASA-N
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1

Weigh it out

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

Names and synonyms

26 names · show all
  • N-(tert-Butoxycarbonyl)phenylalanine
  • L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-
  • Alanine, N-carboxy-3-phenyl-, N-tert-butyl ester, L-
  • N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanine
  • N-(tert-Butyloxycarbonyl)-L-phenylalanine
  • tert-Butoxycarbonyl-L-phenylalanine
  • (tert-Butoxycarbonyl)phenylalanine
  • N-(tert-Butoxycarbonyl)-L-phenylalanine
  • N-(tert-Butyloxycarbonyl)phenylalanine
  • (S)-N-(tert-Butoxycarbonyl)phenylalanine
  • N-BOC-L-phenylalanine
  • N-(tert-Butoxycarbonyl)-(S)-phenylalanine
  • N-t-BOC-L-phenylalanine
  • N-BOC-phenylalanine
  • (2S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropionic acid
  • (2S)-2-(tert-Butoxycarbonylamino)-3-phenylpropanoic acid
  • NSC 111172
  • N-BOC-(S)-phenylalanine
  • (S)-2-[(tert-Butoxycarbonyl)amino]-3-phenylpropionic acid
  • (S)-N-Boc-phenylalanine
  • (S)-2-(tert-Butoxycarbonylamino)-3-phenylpropanoic acid
  • 6: PN: RU2506269 PAGE: 13 claimed sequence
  • Boc-L-phe-OH
  • (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
  • (2S)-2-(tert-Butoxycarbonylamino)-3-phenyl-propanoic acid
  • (2S)-2-[[(tert-Butoxy)carbonyl]amino]-3-phenylpropanoic acid

Reactions

Work with Boc-L-phenylalanine

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-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-phenylalanine13122-90-289 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-tyrosine2130-96-381 % similar 4-Benzoyl-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine104504-43-081 % similar Boc-L-tyrosine3978-80-180 % similar 4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine131724-45-378 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-878 % similar 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-276 % similar N-(tert-Butoxycarbonyl)-D-4-chlorophenylalanine57292-44-176 % similar

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

Same formula

(S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-5 β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepropanoic acid14676-01-8 N-tert-Butoxycarbonyl-D-phenylalanine18942-49-9 Diacetyl-N-phenyldiethanolamine19249-34-4 N-(Benzyloxycarbonyl)-6-aminohexanoic acid1947-00-8 Benzyloxycarbonyl-L-leucine2018-66-8 Anisomycin22862-76-6 N-[(Phenylmethoxy)carbonyl]-L-isoleucine3160-59-6

Elsewhere

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