Boc-N,2-dimethylalanine

C₁₀H₁₉NO₄CAS 146000-39-7217.26 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₀H₁₉NO₄
Molar mass: 217.26 g/mol
Exact mass: 217.1314 Da
logP: 1.72Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

146000-39-7

SMILES

CC(C)(C)OC(=O)N(C)C(C)(C)C(=O)O

InChIKey

KPDLITGXUYMJEC-UHFFFAOYSA-N

InChI

InChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11(6)10(4,5)7(12)13/h1-6H3,(H,12,13)

Weigh it out

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

Work with Boc-N,2-dimethylalanine

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

1-Boc-4-methylpiperidine-4-carboxylic acid189321-63-949 % similar (2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid103336-06-747 % similar (R)-Boc-2-methylproline166170-15-647 % similar 4-Amino-1-boc-piperidine-4-carboxylic acid183673-71-447 % similar 1-[(tert-Butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid203869-80-147 % similar 1-Boc-4-fluoro-4-piperidinecarboxylic acid614731-04-347 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-645 % similar 1-Boc-1-methylhydrazine21075-83-244 % 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-L-valine13734-41-3 tert-Butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate215917-99-0 Boc-D-valine22838-58-0 Boc-5-aminopentanoic acid27219-07-4 Di-tert-butyl-iminodicarboxylate51779-32-9

Elsewhere

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