3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione

C20H28N4O3 — CID 120743188

IUPAC3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)C1=O
InChIInChI=1S/C20H28N4O3/c1-3-20(4-2)18(26)24(19(27)22-20)13-17(25)23-11-15(10-21)16(12-23)14-8-6-5-7-9-14/h5-9,15-16H,3-4,10-13,21H2,1-2H3,(H,22,27)/t15-,16+/m1/s1
InChIKeyRDWZWMQQISGCTO-CVEARBPZSA-N
MW372.47 g/mol
LogP1.30
Rot. Bonds6

About 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione

3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 120743188) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID120743188
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)C1=O
InChIInChI=1S/C20H28N4O3/c1-3-20(4-2)18(26)24(19(27)22-20)13-17(25)23-11-15(10-21)16(12-23)14-8-6-5-7-9-14/h5-9,15-16H,3-4,10-13,21H2,1-2H3,(H,22,27)/t15-,16+/m1/s1
InChIKeyRDWZWMQQISGCTO-CVEARBPZSA-N
XLogP1.30
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 120744952
3-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120748655
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(diethylamino)ethanone;dihydrochloride
CID 120742298
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethanone;ethane
CID 90748357
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120742297
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 120744936
3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
CID 119423789
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-cyclobutylethanone;hydrochloride
CID 120742586
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-propoxyethanone;hydrochloride
CID 120742989
3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 87011014
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
CID 120744511
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 120741782

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione (CID 120743188) is 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)C1=O.
What is the InChIKey of 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is RDWZWMQQISGCTO-CVEARBPZSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-20(4-2)18(26)24(19(27)22-20)13-17(25)23-11-15(10-21)16(12-23)14-8-6-5-7-9-14/h5-9,15-16H,3-4,10-13,21H2,1-2H3,(H,22,27)/t15-,16+/m1/s1.
What are the key properties of 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 372.47 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 120743188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).