chempirical

Boc-D-glu(otbu)-oh

C14H25NO6CAS 104719-63-3303.36 g/mol

Open in Covalent MOL file
OOOOHNHOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C14H25NO6
Molar mass
303.36 g/mol
Exact mass
303.1682 Da
logP
2.09Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
Rin 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
104719-63-3
SMILES
CC(C)(C)OC(=O)CC[C@H](C(=O)O)NC(=O)OC(C)(C)C
InChIKey
YGSRAYJBEREVRB-SECBINFHSA-N
InChI
InChI=1S/C14H25NO6/c1-13(2,3)20-10(16)8-7-9(11(17)18)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,17,18)/t9-/m1/s1

Weigh it out

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Work with Boc-D-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-6Enantiomer

Similar compounds

Boc-glu(ome)-oh45214-91-383 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-077 % similar Boc-L-glutamic acid2419-94-576 % similar Boc-D-glu-oh34404-28-976 % similar Boc-D-glutamine61348-28-574 % similar Ac-glu(otbu)-oh84192-88-174 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-573 % similar Boc-D-nva-oh57521-85-473 % similar

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

Same formula

N-(tert-Butoxycarbonyl)-L-glutamic acid 1-tert-butyl ester24277-39-2 Boc-D-glu-otbu73872-71-6

Elsewhere

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