benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

C16H17NO4 — CID 638419

IUPACbenzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESO=C1C=C[C@@H]([C@H]2CCCN2C(=O)OCc2ccccc2)O1
InChIInChI=1S/C16H17NO4/c18-15-9-8-14(21-15)13-7-4-10-17(13)16(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,8-9,13-14H,4,7,10-11H2/t13-,14+/m1/s1
InChIKeyIVKGWDRNBLZQBM-KGLIPLIRSA-N
MW287.31 g/mol
LogP2.27
Rot. Bonds3

About benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 638419) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
PubChem CID638419
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Namebenzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESO=C1C=C[C@@H]([C@H]2CCCN2C(=O)OCc2ccccc2)O1
InChIInChI=1S/C16H17NO4/c18-15-9-8-14(21-15)13-7-4-10-17(13)16(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,8-9,13-14H,4,7,10-11H2/t13-,14+/m1/s1
InChIKeyIVKGWDRNBLZQBM-KGLIPLIRSA-N
XLogP2.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl (2R)-2-[(2S)-5-oxo-2H-furan-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

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (CID 638419) is benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is O=C1C=C[C@@H]([C@H]2CCCN2C(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is IVKGWDRNBLZQBM-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H17NO4/c18-15-9-8-14(21-15)13-7-4-10-17(13)16(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,8-9,13-14H,4,7,10-11H2/t13-,14+/m1/s1.
What are the key properties of benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 287.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 638419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).