(4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one

C19H26N2O3 — CID 100859107

IUPAC(4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1=O
InChIInChI=1S/C19H26N2O3/c1-2-20-13-15(11-18(20)23)19(24)21-10-6-9-16(21)12-17(22)14-7-4-3-5-8-14/h3-5,7-8,15-17,22H,2,6,9-13H2,1H3/t15-,16-,17-/m1/s1
InChIKeyUIVAKLHSIFTHGJ-BRWVUGGUSA-N
MW330.43 g/mol
LogP1.97
Rot. Bonds5

About (4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 100859107) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID100859107
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1=O
InChIInChI=1S/C19H26N2O3/c1-2-20-13-15(11-18(20)23)19(24)21-10-6-9-16(21)12-17(22)14-7-4-3-5-8-14/h3-5,7-8,15-17,22H,2,6,9-13H2,1H3/t15-,16-,17-/m1/s1
InChIKeyUIVAKLHSIFTHGJ-BRWVUGGUSA-N
XLogP1.97
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 124880408
1,3-dithiolan-2-yl-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 124742146
ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11087069
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11197513
N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111841104
3-amino-1-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125134386
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 111472238
[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
CID 124569065
(2-ethyl-1H-imidazol-5-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111781389
2-(1-hydroxycyclohexyl)-1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 111540770
(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472230

Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 100859107) is (4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one is CCN1C[C@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1=O.
What is the InChIKey of (4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is UIVAKLHSIFTHGJ-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-20-13-15(11-18(20)23)19(24)21-10-6-9-16(21)12-17(22)14-7-4-3-5-8-14/h3-5,7-8,15-17,22H,2,6,9-13H2,1H3/t15-,16-,17-/m1/s1.
What are the key properties of (4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 330.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 100859107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).