chempirical

Boc-L-beta-homovaline

C11H21NO4CAS 183990-64-9231.29 g/mol

Open in Covalent MOL file
OHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C11H21NO4
Molar mass
231.29 g/mol
Exact mass
231.1471 Da
logP
2.01Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
183990-64-9
SMILES
CC(C)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
InChIKey
LUXMZCJCTUATDM-MRVPVSSYSA-N
InChI
InChI=1S/C11H21NO4/c1-7(2)8(6-9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m1/s1

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Work with Boc-L-beta-homovaline

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

Boc-L-beta-homoleucine132549-43-063 % similar Boc-1,4-trans-acha-oh189153-10-460 % similar (S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-555 % similar (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-255 % similar (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylpentanoic acid172695-33-954 % similar tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate127199-16-050 % similar Boc-glu-nh218800-74-350 % similar Boc-(S)-3-amino-4-(2-thienyl)-butyric acid190190-47-749 % 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-D-alpha-T-butylglycine124655-17-0 Boc-L-leucine13139-15-6 tert-Butoxycarbonyl-L-isoleucine13139-16-7 tert-Butoxycarbonyl-D-leucine16937-99-8 N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-0 N-tert-Butoxycarbonyl-L-tert-leucine62965-35-9 N-tert-Butoxycarbonyl-L-norleucine6404-28-0

Elsewhere

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