chempirical

Boc-D-glu-otbu

C14H25NO6CAS 73872-71-6303.36 g/mol

Open in Covalent MOL file
OOOHONHOO
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
73872-71-6
SMILES
CC(C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C
InChIKey
YMOYURYWGUWMFM-SECBINFHSA-N
InChI
InChI=1S/C14H25NO6/c1-13(2,3)20-11(18)9(7-8-10(16)17)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,17)/t9-/m1/s1

Weigh it out

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

Work with Boc-D-glu-otbu

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.

N-(tert-Butoxycarbonyl)-L-glutamic acid 1-tert-butyl ester24277-39-2Enantiomer

Similar compounds

(4S)-4-(((tert-Butoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid72086-72-783 % similar Boc-L-glutamic acid2419-94-576 % similar Boc-D-glu-oh34404-28-976 % similar Boc-asp-otbu34582-32-675 % similar (R)-4-(tert-Butoxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid77004-75-275 % similar Boc-glu-nh218800-74-372 % similar N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester34404-30-368 % similar Z-Glu-otbu5891-45-268 % similar

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

Same formula

Boc-D-glu(otbu)-oh104719-63-3 5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-6

Elsewhere

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