chempirical

H-D-Glu(otbu)-oh

C9H17NO4CAS 45125-00-6203.24 g/mol

Open in Covalent MOL file
OOOOHNH2
Carboxylic acidEsterPrimary amine

Properties

Molecular formula
C9H17NO4
Molar mass
203.24 g/mol
Exact mass
203.1158 Da
logP
0.52Crippen estimate
Polar surface area
89.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
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
45125-00-6
SMILES
CC(C)(C)OC(=O)CC[C@H](C(=O)O)N
InChIKey
OIOAKXPMBIZAHL-ZCFIWIBFSA-N
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-7(11)5-4-6(10)8(12)13/h6H,4-5,10H2,1-3H3,(H,12,13)/t6-/m1/s1

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Work with H-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 L-glutamate2419-56-9Enantiomer

Similar compounds

4-(1,1-Dimethylethyl) hydrogen L-aspartate3057-74-772 % similar (2R)-2-Amino-4-(tert-butoxy)-4-oxobutanoic acid64960-75-472 % similar 5-Methyl hydrogen L-glutamate1499-55-465 % similar (R)-Di-tert-butyl 2-aminopentanedioate hydrochloride172793-31-663 % similar L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-363 % similar Ethyl L-glutamate1119-33-162 % similar tert-Butyl (4S)-4-amino-4-carbamoylbutanoate hydrochloride108607-02-961 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-660 % similar

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

Same formula

(R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid132696-45-8 tert-Butoxycarbonylamino-acetic acid ethyl ester14719-37-0 Boc-N-ethyl glycine149794-10-5 (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-0 (3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid159991-23-8 Boc-N-methyl-L-alanine16948-16-6 (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-6 (S)-3-(Boc-amino)-2-methylpropionic acid190897-47-3

Elsewhere

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