benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate

C16H21NO3 — CID 155821015

IUPACbenzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@@H]1[C@@H]1CCCO1
InChIInChI=1S/C16H21NO3/c18-16(20-12-13-6-2-1-3-7-13)17-10-4-8-14(17)15-9-5-11-19-15/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15+/m1/s1
InChIKeyAXLWDZWLLACINH-CABCVRRESA-N
MW275.35 g/mol
LogP2.97
Rot. Bonds3

About benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate

benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 155821015) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate
PubChem CID155821015
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namebenzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@@H]1[C@@H]1CCCO1
InChIInChI=1S/C16H21NO3/c18-16(20-12-13-6-2-1-3-7-13)17-10-4-8-14(17)15-9-5-11-19-15/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15+/m1/s1
InChIKeyAXLWDZWLLACINH-CABCVRRESA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-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

Related Compounds

benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 21051103
benzyl (3aS,7aS)-2-oxo-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate
CID 10891094
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
benzyl (2R)-2-[(2S)-3,4-dimethyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
CID 101037130
benzyl (2S,3aS,7aS)-2-(bromomethyl)-2-methoxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate
CID 86334455
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
benzyl (2S,3S)-3-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 125117167
benzyl (1R,5S)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 129389012
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110
benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate
CID 67432326
benzyl (2S)-2-ethynylpyrrolidine-1-carboxylate
CID 101484973

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate (CID 155821015) is benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC[C@@H]1[C@@H]1CCCO1.
What is the InChIKey of benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is AXLWDZWLLACINH-CABCVRRESA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(20-12-13-6-2-1-3-7-13)17-10-4-8-14(17)15-9-5-11-19-15/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15+/m1/s1.
What are the key properties of benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate?
benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 155821015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).