tert-Leucine

C6H13NO2CAS 33105-81-6131.18 g/mol

Open in Covalent MOL file
NH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H13NO2
Molar mass
131.18 g/mol
Exact mass
131.0946 Da
Melting point
above 300 °C
logP
0.44Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
33105-81-6
SMILES
CC(C)(C)C(N)C(=O)O
InChIKey
NPDBDJFLKKQMCM-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)

Weigh it out

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

Names and synonyms

13 names · show all
  • Valine, 3-methyl-
  • DL-Valine, 3-methyl-
  • Butyric acid, 2-amino-3,3-dimethyl-, DL-
  • 3-Methylvaline
  • DL-Pseudoleucine
  • DL-tert-Leucine
  • DL-3,3,3-Trimethyl-2-aminopropionate
  • DL-Terleucine
  • Pseudoleucine
  • ψ-Leucine
  • 2-Amino-3,3-dimethylbutanoic acid
  • tert-Butylglycine
  • DL-tert-Butyl-Glycine

Work with 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

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.

D-tert-Leucine26782-71-8Defined stereoisomer L-tert-Leucine20859-02-3Defined stereoisomer

Similar compounds

3-Methyl-L-threonine2280-27-563 % similar L-Penicillamine1113-41-361 % similar L-Valine, 3,3′-dithiobis-113626-33-861 % similar 3-Fluoro-dl-valine43163-94-661 % similar (±)-Penicillamine52-66-461 % similar (-)-Penicillamine52-67-561 % similar 3,3,3-Trifluoroalanine17463-43-356 % similar L-tert-Leucinamide hydrochloride75158-12-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dimethylaminoethyl acetate1421-89-2 L-Alloisoleucine1509-34-8 D-Alloisoleucine1509-35-9 tert-Butyl methylcarbamate16066-84-5 N-Methyl-L-valine2480-23-1 D-Isoleucine319-78-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook