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

C₈H₁₃NO₄CAS 98541-64-1187.19 g/mol

Open in Covalent MOL file

Carbamate Ester Lactone

Properties

Molecular formula: C₈H₁₃NO₄
Molar mass: 187.19 g/mol
Exact mass: 187.0845 Da
logP: 0.44Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

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

PubChem CAS Common Chemistry NIST WebBook