chempirical

N-(tert-Butoxycarbonyl)-L-serine beta-lactone

C8H13NO4CAS 98541-64-1187.19 g/mol

Open in Covalent MOL file
OOHNOO
CarbamateEsterLactone

Properties

Molecular formula
C8H13NO4
Molar mass
187.19 g/mol
Exact mass
187.0845 Da
logP
0.44Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1
Stereocentres
Sin 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
98541-64-1
SMILES
CC(C)(C)OC(=O)N[C@H]1COC1=O
InChIKey
HRJDEHQWXAPGBG-YFKPBYRVSA-N
InChI
InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m0/s1

Weigh it out

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

Work with N-(tert-Butoxycarbonyl)-L-serine beta-lactone

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.

(R)-tert-Butyl (2-oxooxetan-3-yl)carbamate126330-77-6Enantiomer

Similar compounds

Boc-3-iodo-D-alanine methyl ester170848-34-759 % similar Boc-L-serine methyl ester2766-43-059 % similar Boc-asp-otbu34582-32-659 % similar (R)-4-(tert-Butoxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid77004-75-259 % similar Methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoate93267-04-059 % similar Boc-D-ser-ome95715-85-859 % similar Boc-leu-ome63096-02-657 % similar Boc-D-glu-otbu73872-71-656 % similar

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

Elsewhere

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