chempirical

N-[(Phenylmethoxy)carbonyl]-L-isoleucine

C14H19NO4CAS 3160-59-6265.31 g/mol

Open in Covalent MOL file
NHOOOOH
Carboxylic acid

Properties

Molecular formula
C14H19NO4
Molar mass
265.31 g/mol
Exact mass
265.1314 Da
Melting point
44–46 °C
logP
2.62Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
3160-59-6
SMILES
CC[C@H](C)[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChIKey
JSHXJPFZKBRLFU-JQWIXIFHSA-N
InChI
InChI=1S/C14H19NO4/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17)/t10-,12-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • L-Isoleucine, N-[(phenylmethoxy)carbonyl]-
  • Isoleucine, N-carboxy-, N-benzyl ester, L-
  • Isoleucine, N-carboxy-, N-benzyl ester
  • N-Carbobenzoxy-L-isoleucine
  • N-Benzyloxycarbonyl-L-isoleucine
  • N-(Benzyloxycarbonyl)isoleucine
  • N-(Carbobenzyloxy)isoleucine
  • CBZ-L-Isoleucine
  • N-Carbobenzyloxy-L-isoleucine
  • ((Benzyloxy)carbonyl)-L-isoleucine

Work with N-[(Phenylmethoxy)carbonyl]-L-isoleucine

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.

N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3Salt

Similar compounds

Benzyloxycarbonyl-L-valine1149-26-474 % similar N-(Benzyloxycarbonyl)-DL-valine3588-63-474 % similar Z-Thr-OH19728-63-371 % similar (2S)-2-(((Phenylmethoxy)carbonyl)amino)butanoic acid42918-86-570 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine251316-98-066 % similar N-Fmoc-L-isoleucine71989-23-666 % similar N-Carbobenzyloxyalanine1142-20-766 % similar N-(Benzyloxycarbonyl)-DL-alanine4132-86-966 % 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 Boc-L-phenylalanine13734-34-4 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 N-tert-Butoxycarbonyl-D-phenylalanine18942-49-9 Diacetyl-N-phenyldiethanolamine19249-34-4 N-(Benzyloxycarbonyl)-6-aminohexanoic acid1947-00-8

Elsewhere

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