(3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one

C20H23NO2 — CID 118420758

IUPAC(3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one
SMILESO=C1NCC[C@@H]1C[C@@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c22-20-18(11-12-21-20)13-19(17-9-5-2-6-10-17)15-23-14-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,21,22)/t18-,19+/m1/s1
InChIKeyNPSRKGDBGYUBPF-MOPGFXCFSA-N
MW309.41 g/mol
LogP3.51
Rot. Bonds7

About (3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one

(3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one (PubChem CID 118420758) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one
PubChem CID118420758
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one
SMILESO=C1NCC[C@@H]1C[C@@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c22-20-18(11-12-21-20)13-19(17-9-5-2-6-10-17)15-23-14-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,21,22)/t18-,19+/m1/s1
InChIKeyNPSRKGDBGYUBPF-MOPGFXCFSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl (E,4S)-4-amino-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 170051086
3-(phenylmethoxymethyl)piperidin-2-one
CID 102941255
(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one
CID 118421052
3-(2-hydroxy-2-phenylethyl)piperidin-2-one
CID 104679238
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one
CID 62094325
methyl (2S)-3-(2-oxopyrrolidin-3-yl)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 90368623
(4S)-4-amino-3-benzylpiperidin-2-one
CID 70085513
2-methyl-3-(2-oxopyrrolidin-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 175458061
5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one
CID 10760541
3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione
CID 13432009
1-hydroxy-3-(2-oxopyrrolidin-3-yl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propane-1-sulfinic acid
CID 162685345
tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate
CID 70330663

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one (CID 118420758) is (3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one is O=C1NCC[C@@H]1C[C@@H](COCc1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one?
The InChIKey is NPSRKGDBGYUBPF-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H23NO2/c22-20-18(11-12-21-20)13-19(17-9-5-2-6-10-17)15-23-14-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,21,22)/t18-,19+/m1/s1.
What are the key properties of (3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one?
(3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 118420758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).