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

C18H24N2O3 — CID 40515531

IUPAC(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H24N2O3/c21-17-11-15(18(22)19-12-16-7-4-10-23-16)13-20(17)9-8-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,22)/t15-,16-/m0/s1
InChIKeyWRBRBWDPPNCEJC-HOTGVXAUSA-N
MW316.40 g/mol
LogP1.37
Rot. Bonds6

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

(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 40515531) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID40515531
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H24N2O3/c21-17-11-15(18(22)19-12-16-7-4-10-23-16)13-20(17)9-8-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,22)/t15-,16-/m0/s1
InChIKeyWRBRBWDPPNCEJC-HOTGVXAUSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4047575
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6463187
(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34747212
5-oxo-1-(oxolan-2-ylmethyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113182664
(3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 39729388
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51154778
N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 111445380
oxan-2-ylmethyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 78769308
1-(2-methylpropyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182038
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 94115136
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 40515531) is (3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is WRBRBWDPPNCEJC-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17-11-15(18(22)19-12-16-7-4-10-23-16)13-20(17)9-8-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,22)/t15-,16-/m0/s1.
What are the key properties of (3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 40515531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).