(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

C17H22N2O3 — CID 34747212

IUPAC(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H22N2O3/c20-16-9-14(17(21)18-10-15-7-4-8-22-15)12-19(16)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,21)/t14-,15+/m0/s1
InChIKeyUWKVMORWLAOGLH-LSDHHAIUSA-N
MW302.37 g/mol
LogP1.33
Rot. Bonds5

About (3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 34747212) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID34747212
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H22N2O3/c20-16-9-14(17(21)18-10-15-7-4-8-22-15)12-19(16)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,21)/t14-,15+/m0/s1
InChIKeyUWKVMORWLAOGLH-LSDHHAIUSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 40515531
1-benzyl-5-oxo-N-[2-(oxolane-2-carbonylamino)ethyl]pyrrolidine-3-carboxamide
CID 108541036
5-oxo-1-(oxolan-2-ylmethyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113182664
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6463187
1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4047575
1-(2-methylpropyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182038
(3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 39729388
1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46802994
3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide
CID 75435937
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898459
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898464

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (CID 34747212) is (3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is UWKVMORWLAOGLH-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16-9-14(17(21)18-10-15-7-4-8-22-15)12-19(16)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,21)/t14-,15+/m0/s1.
What are the key properties of (3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 34747212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).