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

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

PubChem CAS Common Chemistry NIST WebBook