(R)-(-)-1-CBZ-3-pyrrolidinol (CAS 100858-33-1): engraved ball-and-stick 3D molecular model (STL)
Abstract
This entry presents (R)-(-)-1-CBZ-3-pyrrolidinol (C12H15NO3; CAS 100858-33-1; PubChem CID 11183628) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, N, O), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged. Structure at a glance 31 atoms: 12 C, 15 H, 1 N, 3 O 32 bonds: 25 single, 1 double, 6 aromatic Two rings (one 5-membered and one 6-membered), one of them aromatic Functional groups: one carbamate group (-NH-CO-O-) and one hydroxyl group (-OH) One stereocentre with CIP label R — IUPAC name benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate One hydrogen-bond donor and three acceptors (computed) Fraction of sp3-hybridised (tetrahedral) carbon atoms: 0.42 (computed) Use in teaching Counting task: students tally the engraved symbols (12 C, 15 H, 1 N, 3 O; 31 atoms) and rebuild the formula C12H15NO3 from the model alone. Stereochemistry: locate the one stereocentre on the printed model and confirm the R assignment with the CIP priority rules. Aromaticity: identify the aromatic ring among the two rings and the 6 bonds recorded as aromatic; the model draws them as one Kekulé structure (alternating single and double bonds), while in the real molecule they are delocalised, intermediate between single and double. File and printing STL mesh of 381,278 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 9.231 × 8.674 × 5.155 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 92.3 × 86.7 × 51.6 mm. SHA-256: d37aca64671b2489322bcecf6a535f5dc60ebd415a2f3b9a101275ddcc2dd80d. Validation InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08), including the stereo layer: MBLJFGOKYTZKMH-LLVKDONJSA-N Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem Stereocentres in PubChem: 1 defined, 0 undefined; both counts match this record Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file Source, licence and identifiers Full record: molgod.org/molecule/100858-33-1 · Licence and provenance record: molgod.org/licenses/stl/100858-33-1 · Same file on Wikimedia Commons: File:(R)-(-)-1-CBZ-3-pyrrolidinol-3D-molecular-model-engraved-CAS-100858-33-1.stl MolGod ID: MG_139-565-113-21 Wikidata: Q72516459 EC number: 625-155-7 InChIKey: MBLJFGOKYTZKMH-LLVKDONJSA-N SMILES: C1CN(C[C@@H]1O)C(=O)OCC2=CC=CC=C2 Molar mass 221.25 g/mol (exact mass 221.10519334) Licence: CC BY-SA 4.0 (licence text). Required attribution: "(R)-(-)-1-CBZ-3-pyrrolidinol 3D model by MolGod.org — https://molgod.org/molecule/100858-33-1/ — CC BY-SA 4.0".
