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.

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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-tert-Butyl 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 Acetyl-DL-carnitine14992-62-2 (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-0 (R)-3-((tert-Butoxycarbonyl)amino)butanoic acid159991-23-8 Boc-N-methyl-L-alanine16948-16-6 (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-6

Elsewhere

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