chempirical

N-tert-Butoxycarbonyl-D-phenylalanine

C14H19NO4CAS 18942-49-9265.31 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
88–89 °C
logP
2.41Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
18942-49-9
SMILES
CC(C)(C)OC(O)=N[C@H](Cc1ccccc1)C(=O)O
InChIKey
ZYJPUMXJBDHSIF-LLVKDONJSA-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-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-
  • Alanine, N-carboxy-3-phenyl-, N-tert-butyl ester, D-
  • N-[(1,1-Dimethylethoxy)carbonyl]-D-phenylalanine
  • tert-Butoxycarbonyl-D-phenylalanine
  • BOC-D-phenylalanine
  • (R)-N-(tert-Butoxycarbonyl)phenylalanine
  • N-BOC-D-phenylalanine
  • N-tert-Butyloxycarbonyl-D-phenylalanine
  • (2R)-2-(tert-Butoxycarbonylamino)-3-phenylpropanoic acid
  • (R)-2-[(tert-Butoxycarbonyl)amino]-3-phenylpropionic acid
  • (2R)-2-[(tert-Butoxycarbonyl)amino]-3-phenylpropionic acid
  • (R)-2-(tert-Butoxycarbonylamino)-3-phenylpropanoic acid
  • tert-Butyloxycarbonyl-D-phenylalanine
  • (R)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropionic acid
  • (2R)-2-[[(tert-Butoxy)carbonyl]amino]-3-phenylpropanoic acid
  • (2R)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid

Work with N-tert-Butoxycarbonyl-D-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

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.

Boc-L-phenylalanine13734-34-4Enantiomer Boc-dl-phe-oh4530-18-1Stereo not defined

Similar compounds

N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-phenylalanine13122-90-289 % similar O-Benzyl-N-((tert-butoxy)carbonyl)-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-Boc-4-chloro-D-phenylalanine57292-44-176 % 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-Carbobenzoxy-dl-norleucine15027-13-1 (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-2 Diacetyl-N-phenyldiethanolamine19249-34-4 N-(Benzyloxycarbonyl)-6-aminohexanoic acid1947-00-8 Benzyloxycarbonyl-L-leucine2018-66-8

Elsewhere

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