chempirical

Cbz-L-tert-leucine

C14H19NO4CAS 62965-10-0265.31 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C14H19NO4
Molar mass
265.31 g/mol
Exact mass
265.1314 Da
logP
2.41Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 36 ECHA notifiers. Aggregated from 36 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
62965-10-0
SMILES
CC(C)(C)[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChIKey
NSVNKQLSGGKNKB-LLVKDONJSA-N
InChI
InChI=1S/C14H19NO4/c1-14(2,3)11(12(16)17)15-13(18)19-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1

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Names and synonyms

1 names
  • (2S)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid

Work with Cbz-L-tert-leucine

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-Cbz-D-alanine26607-51-267 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid132684-60-765 % similar Z-Phg-oh53990-33-364 % similar 2-(((Benzyloxy)carbonyl)amino)-2-hydroxyacetic acid56538-57-964 % similar N-Alfa-Cbz-O-t-butyl-D-serine65806-90-864 % similar Cbz-D-valine1685-33-264 % similar L-N-Cbz-3-N-boc-amino-alanine16947-84-563 % similar N-Carbobenzoxy-dl-aspartic acid4515-21-363 % 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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