Ac-glu(otbu)-oh

C₁₁H₁₉NO₅CAS 84192-88-1245.27 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ester

Properties

Molecular formula: C₁₁H₁₉NO₅
Molar mass: 245.27 g/mol
Exact mass: 245.1263 Da
logP: 0.70Crippen estimate
Polar surface area: 92.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

84192-88-1

SMILES

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

InChIKey

FALCCLKESWGSNI-QMMMGPOBSA-N

InChI

InChI=1S/C11H19NO5/c1-7(13)12-8(10(15)16)5-6-9(14)17-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)(H,15,16)/t8-/m0/s1

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Work with Ac-glu(otbu)-oh

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

(S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid117833-18-878 % similar Boc-D-glu(otbu)-oh104719-63-374 % similar Boc-glu(ome)-oh45214-91-362 % similar Boc-lys(ac)-oh6404-26-858 % similar Z-D-Glu(otbu)-oh51644-83-857 % similar 5-(1,1-Dimethylethyl) hydrogen L-glutamate2419-56-957 % similar H-D-Glu(otbu)-oh45125-00-657 % similar N-Acetyl-dl-norleucine7682-16-856 % similar

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

Same formula

N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-9 (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-6 1-tert-Butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate135042-17-0 4-[[(1,1-Dimethylethoxy)carbonyl]amino]tetrahydro-2H-pyran-4-carboxylic acid172843-97-9 (2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester74844-91-0

Elsewhere

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