chempirical

N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid

C10H19NO5CAS 102507-13-1233.26 g/mol

Open in Covalent MOL file
OONHOHOOH
AlcoholCarbamateCarboxylic acid

Properties

Molecular formula
C10H19NO5
Molar mass
233.26 g/mol
Exact mass
233.1263 Da
logP
0.74Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
102507-13-1
SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)O
InChIKey
SZVRVSZFEDIMFM-ZCFIWIBFSA-N
InChI
InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1

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

Work with N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid

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-D-alpha-T-butylglycine124655-17-072 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-256 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-455 % similar Boc-L-cyclopentylglycine109183-72-453 % similar Boc-D-glu(otbu)-oh104719-63-351 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-550 % similar Boc-D-lys-oh106719-44-249 % similar (R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid132696-45-849 % similar

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

Same formula

T-Boc-N-amido-peg1-acid1260092-44-1 N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-L-threonine48068-25-3 N,O-Bis(tert-butoxycarbonyl)hydroxylamine85006-25-3

Elsewhere

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