Boc-L-valine

C10H19NO4CAS 13734-41-3217.26 g/mol

Open in Covalent MOL file
NHOOOHO
Carboxylic acid

Properties

Molecular formula
C10H19NO4
Molar mass
217.26 g/mol
Exact mass
217.1314 Da
Density
1.19 g/mL
Melting point
77–79 °C
logP
1.82Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 18 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
13734-41-3
SMILES
CC(C)[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
SZXBQTSZISFIAO-ZETCQYMHSA-N
InChI
InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1

Weigh it out

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

Names and synonyms

24 names · show all
  • L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-
  • Valine, N-carboxy-, N-tert-butyl ester, L-
  • N-[(1,1-Dimethylethoxy)carbonyl]-L-valine
  • N-tert-Butoxycarbonyl-L-valine
  • tert-Butoxycarbonyl-L-valine
  • N-tert-Butoxycarbonylvaline
  • N-tert-Butyloxycarbonyl-L-valine
  • N-α-tert-Butoxycarbonyl-L-valine
  • BOC-valine
  • N-tert-Butyloxycarbonylvaline
  • t-Butoxycarbonyl-L-valine
  • (S)-N-tert-Butoxycarbonylvaline
  • (2S)-2-(tert-Butoxycarbonylamino)-3-methylbutanoic acid
  • N-BOC-L-valine
  • NSC 197197
  • N-BOC-valine
  • (S)-2-(tert-Butoxycarbonylamino)-3-methylbutanoic acid
  • (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methylbutanoic acid
  • N-tert-Butoxycarbonyl-L-valine vinyl ester
  • (S)-2-(Boc-amino)-3-methylbutyric acid
  • (S)-Boc-valine
  • Boc-L-val
  • (2S)-2-[[(tert-Butoxy)carbonyl]amino]-3-methylbutanoic acid
  • (2S)-3-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Work with Boc-L-valine

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-D-valine22838-58-0Enantiomer Boc-dl-valine54895-12-4Stereo not defined

Similar compounds

N-tert-Butoxycarbonyl-L-threonine2592-18-973 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-threonine55674-67-473 % similar (2S,3R)-3-(tert-Butoxy)-2-(((tert-butoxy)carbonyl)amino)butanoic acid13734-40-271 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-L-threonine48068-25-369 % similar tert-Butoxycarbonyl-L-isoleucine13139-16-768 % similar (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-467 % similar tert-Butoxycarbonylalanine15761-38-367 % similar Boc-D-alanine7764-95-667 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate135065-69-9 (R)-N-Boc-2-hydroxymethylmorpholine135065-71-3 tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate135065-76-8 Boc-N,2-dimethylalanine146000-39-7 tert-Butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate215917-99-0 Boc-5-aminopentanoic acid27219-07-4 Di-tert-butyl-iminodicarboxylate51779-32-9

Elsewhere

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