(3S,4R)-4-(3-Methoxyphenyl)pyrrolidine-3-carboxylic acid
Properties
- Molecular formula
- C12H15NO3
- Molar mass
- 221.26 g/mol
- Exact mass
- 221.1052 Da
- logP
- 1.08Crippen estimate
- Polar surface area
- 58.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 3
- Stereocentres
- R, 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
937692-64-3SMILES
COC1=CC=CC(=C1)[C@@H]2CNC[C@H]2C(=O)OInChIKey
DPBJZZNRRNSKIH-WDEREUQCSA-NInChI
InChI=1S/C12H15NO3/c1-16-9-4-2-3-8(5-9)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (3S,4R)-4-(3-Methoxyphenyl)pyrrolidine-3-carboxylic acid
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds