(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

C17H22N2O3 — CID 40502213

IUPAC(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-12-4-6-14(7-5-12)19-11-13(9-16(19)20)17(21)18-10-15-3-2-8-22-15/h4-7,13,15H,2-3,8-11H2,1H3,(H,18,21)/t13-,15+/m1/s1
InChIKeyCGHFCHAVORMMKL-HIFRSBDPSA-N
MW302.37 g/mol
LogP1.64
Rot. Bonds4

About (3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 40502213) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID40502213
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-12-4-6-14(7-5-12)19-11-13(9-16(19)20)17(21)18-10-15-3-2-8-22-15/h4-7,13,15H,2-3,8-11H2,1H3,(H,18,21)/t13-,15+/m1/s1
InChIKeyCGHFCHAVORMMKL-HIFRSBDPSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113187210
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
(3R)-1-(3-methylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93017593
1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 84995148
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34746625
1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4047575
(3S)-1-(3-bromophenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 51935285
(3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 1273771
1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113190639
1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191716
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (CID 40502213) is (3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is CGHFCHAVORMMKL-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-4-6-14(7-5-12)19-11-13(9-16(19)20)17(21)18-10-15-3-2-8-22-15/h4-7,13,15H,2-3,8-11H2,1H3,(H,18,21)/t13-,15+/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 40502213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).