benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate

C18H19NO3 — CID 135005198

IUPACbenzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](O)[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO3/c20-16-11-12-19(17(16)15-9-5-2-6-10-15)18(21)22-13-14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2/t16-,17-/m1/s1
InChIKeyUBAXEAJCQIOMCD-IAGOWNOFSA-N
MW297.35 g/mol
LogP3.13
Rot. Bonds3

About benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate

benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate (PubChem CID 135005198) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate
PubChem CID135005198
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](O)[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO3/c20-16-11-12-19(17(16)15-9-5-2-6-10-15)18(21)22-13-14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2/t16-,17-/m1/s1
InChIKeyUBAXEAJCQIOMCD-IAGOWNOFSA-N
XLogP3.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate (CID 135005198) is benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CC[C@@H](O)[C@H]1c1ccccc1.
What is the InChIKey of benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate?
The InChIKey is UBAXEAJCQIOMCD-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H19NO3/c20-16-11-12-19(17(16)15-9-5-2-6-10-15)18(21)22-13-14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2/t16-,17-/m1/s1.
What are the key properties of benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate?
benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R)-3-hydroxy-2-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 135005198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).