(4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C20H26N2O4 — CID 92594763

IUPAC(4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-25-15-7-8-16(18(11-15)26-2)17-4-3-9-21(17)20(24)13-10-19(23)22(12-13)14-5-6-14/h7-8,11,13-14,17H,3-6,9-10,12H2,1-2H3/t13-,17+/m0/s1
InChIKeyAEPBIUCAEWXLDE-SUMWQHHRSA-N
MW358.44 g/mol
LogP2.38
Rot. Bonds5

About (4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92594763) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID92594763
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-25-15-7-8-16(18(11-15)26-2)17-4-3-9-21(17)20(24)13-10-19(23)22(12-13)14-5-6-14/h7-8,11,13-14,17H,3-6,9-10,12H2,1-2H3/t13-,17+/m0/s1
InChIKeyAEPBIUCAEWXLDE-SUMWQHHRSA-N
XLogP2.38
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94097508
(4R)-1-cyclopropyl-4-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95567810
4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957915
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
(4R)-1-cyclopropyl-4-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94620798
4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 55543629
ethyl 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 42920226
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92594770
(4S)-4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 11946747
(4S)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351509
(4R)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351505
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 122134394

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 92594763) is (4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)c(OC)c1.
What is the InChIKey of (4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is AEPBIUCAEWXLDE-SUMWQHHRSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-25-15-7-8-16(18(11-15)26-2)17-4-3-9-21(17)20(24)13-10-19(23)22(12-13)14-5-6-14/h7-8,11,13-14,17H,3-6,9-10,12H2,1-2H3/t13-,17+/m0/s1.
What are the key properties of (4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 358.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92594763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).