(3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone

C9H9NO2CAS 132127-34-5163.18 g/mol

Open in Covalent MOL file
ONHOH
AlcoholAmideLactam

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
logP
0.22Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
132127-34-5
SMILES
C1=CC=C(C=C1)[C@H]2[C@H](C(=O)N2)O
InChIKey
FBZSDKXFQUKDLD-JGVFFNPUSA-N
InChI
InChI=1S/C9H9NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,10,12)/t7-,8+/m0/s1

Weigh it out

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

Work with (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone

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

Similar compounds

(2R,3S)-Boc-3-phenylisoserine145514-62-147 % similar (2R,3R)-Tartranilic acid3019-58-744 % similar (2R,3S)-3-Phenylisoserine136561-53-042 % similar 3-Phenylpiperazin-2-one5368-28-541 % similar (S)-Mandelic acid17199-29-040 % similar (-)-Mandelic acid611-71-240 % similar Mandelic acid611-72-340 % similar Mandelic acid90-64-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone15450-69-8 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7 3,5-Dimethoxybenzonitrile19179-31-8

Elsewhere

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