(4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

C16H23NO3 — CID 58072031

IUPAC(4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESCOCCC(O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C16H23NO3/c1-12(13-6-4-3-5-7-13)17-11-14(10-16(17)19)15(18)8-9-20-2/h3-7,12,14-15,18H,8-11H2,1-2H3/t12-,14-,15?/m1/s1
InChIKeyVGSGPWVJYPOEDZ-QRYBPTEFSA-N
MW277.36 g/mol
LogP1.99
Rot. Bonds6

About (4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

(4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 58072031) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
PubChem CID58072031
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESCOCCC(O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C16H23NO3/c1-12(13-6-4-3-5-7-13)17-11-14(10-16(17)19)15(18)8-9-20-2/h3-7,12,14-15,18H,8-11H2,1-2H3/t12-,14-,15?/m1/s1
InChIKeyVGSGPWVJYPOEDZ-QRYBPTEFSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 123475689
4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 58945362
4-[(1S)-1-aminoethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118476453
4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 66713329
4-(1-aminoethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 54042387
(3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 100844395
(4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 134325581
tert-butyl N-[(1S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314722
tert-butyl N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10065360
tert-butyl N-[(1R)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314721
tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 22848377
(4S)-4-(bromomethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 24813930

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (CID 58072031) is (4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is COCCC(O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1.
What is the InChIKey of (4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is VGSGPWVJYPOEDZ-QRYBPTEFSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(13-6-4-3-5-7-13)17-11-14(10-16(17)19)15(18)8-9-20-2/h3-7,12,14-15,18H,8-11H2,1-2H3/t12-,14-,15?/m1/s1.
What are the key properties of (4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
(4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 277.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 58072031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).