N-tert-Butoxycarbonyl-L-tert-leucine

C₁₁H₂₁NO₄CAS 62965-35-9231.29 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₁H₂₁NO₄
Molar mass: 231.29 g/mol
Exact mass: 231.1471 Da
Melting point: 122 °C
logP: 2.21Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

62965-35-9

SMILES

CC(C)(C)OC(O)=N[C@H](C(=O)O)C(C)(C)C

InChIKey

LRFZIPCTFBPFLX-SSDOTTSWSA-N

InChI

InChI=1S/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m1/s1

Weigh it out

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

Names and synonyms

9 names

L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-
N-[(1,1-Dimethylethoxy)carbonyl]-3-methyl-L-valine
(S)-2-tert-Butoxycarbonylamino-3,3-dimethylbutyric acid
(2S)-2-(tert-Butoxycarbonylamino)-3,3-dimethylbutanoic acid
N-tert-Butoxycarbonyl-L-tert-butylglycine
N-Boc-L-tert-leucine
(S)-2-(((tert-Butoxy)carbonyl)amino)-3,3-dimethylbutanoic acid
L-Boc-tert-leucine
(S)-2-((tert-Butoxycarbonyl)amino)-3,3-dimethylbutanoic acid

Work with N-tert-Butoxycarbonyl-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

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-alpha-T-butylglycine124655-17-0Enantiomer

Similar compounds

N-(Methoxycarbonyl)-3-methyl-L-valine162537-11-369 % similar tert-Butoxycarbonylalanine15761-38-364 % similar Boc-D-alanine7764-95-664 % similar Boc-L-valine13734-41-361 % similar Boc-L-serine3262-72-459 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-859 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-359 % similar 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]glycine 1,1-dimethylethyl ester111652-20-1 Boc-L-leucine13139-15-6 tert-Butoxycarbonyl-L-isoleucine13139-16-7 tert-Butoxycarbonyl-D-leucine16937-99-8 Boc-L-beta-homovaline183990-64-9 Boc-N-methyl-L-valine45170-31-8 N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook