(R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate

C₁₂H₁₃NO₄CAS 118399-28-3235.24 g/mol

Open in Covalent MOL file

Carbamate Ester Lactone

Properties

Molecular formula: C₁₂H₁₃NO₄
Molar mass: 235.24 g/mol
Exact mass: 235.0845 Da
logP: 1.23Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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

118399-28-3

SMILES

C1[C@H](COC1=O)NC(=O)OCC2=CC=CC=C2

InChIKey

BNIBNUOPVTZWRT-SNVBAGLBSA-N

InChI

InChI=1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m1/s1

Weigh it out

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

Names and synonyms

1 names

Benzyl (R)-5-oxotetrahydrofuran-3-ylcarbamate

Work with (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate

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.

Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate87219-29-2Enantiomer

Similar compounds

Benzyl 3-oxocyclobutylcarbamate130369-36-767 % similar 3-(Cbz-amino)-azetidine914348-04-264 % similar 4-N-Cbz-cyclohexanone16801-63-160 % similar (S)-Benzyl (2-oxooxetan-3-YL)carbamate26054-60-460 % similar 1-N-Cbz-trans-1,4-cyclohexyldiamine149423-77-858 % similar N-Cbz-4-hydroxycyclohexane16801-62-058 % similar (S)-3-N-Cbz-aminopyrrolidine176970-12-058 % similar Cbz-D-phenylalaninol58917-85-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-4-Benzyl-5-oxo-3-morpholinecarboxylic acid106973-36-8 (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-8 N-Cbz-L-homoserine lactone35677-89-5 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-5 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-7

Elsewhere

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