chempirical

Boc-D-glu-oh

C10H17NO6CAS 34404-28-9247.25 g/mol

Open in Covalent MOL file
OONHOOHOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C10H17NO6
Molar mass
247.25 g/mol
Exact mass
247.1056 Da
logP
0.83Crippen estimate
Polar surface area
112.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
34404-28-9
SMILES
CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)O
InChIKey
AQTUACKQXJNHFQ-ZCFIWIBFSA-N
InChI
InChI=1S/C10H17NO6/c1-10(2,3)17-9(16)11-6(8(14)15)4-5-7(12)13/h6H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t6-/m1/s1

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

Work with Boc-D-glu-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.

Boc-L-glutamic acid2419-94-5Enantiomer

Similar compounds

Boc-D-glu(otbu)-oh104719-63-376 % similar Boc-glu-nh218800-74-372 % similar (2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid25691-37-669 % similar Boc-orn-oh21887-64-966 % similar Boc-D-lys-oh106719-44-264 % similar (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-764 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-464 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-064 % similar

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

Same formula

2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid137401-45-7

Elsewhere

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