chempirical

Boc-N,2-dimethylalanine

C10H19NO4CAS 146000-39-7217.26 g/mol

Open in Covalent MOL file
OONOOH
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

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)

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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

(R)-Boc-2-methylproline166170-15-647 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-645 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-941 % similar 1-Boc-azetidine-3-carboxylic acid142253-55-240 % similar Boc-N-me-ser-oh101772-29-640 % similar N-Boc-(methylamino)acetaldehyde123387-72-440 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine30992-29-140 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-439 % similar

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

Same formula

2-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester135065-69-9 (R)-N-Boc-2-hydroxymethylmorpholine135065-71-3 tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate135065-76-8 Boc-L-valine13734-41-3 Di-tert-butyl-iminodicarboxylate51779-32-9 1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-0 N-[(1S)-1-Carboxyethyl]-L-norvaline 1-ethyl ester82834-12-6

Elsewhere

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