3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

C15H17N3O4 — CID 90653397

IUPAC3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C15H17N3O4/c19-12-8-16-14(21)18(12)9-13(20)17-7-6-15(22,10-17)11-4-2-1-3-5-11/h1-5,22H,6-10H2,(H,16,21)
InChIKeyADGQPSVRMNHBLA-UHFFFAOYSA-N
MW303.32 g/mol
LogP-0.34
Rot. Bonds3

About 3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 90653397) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID90653397
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C15H17N3O4/c19-12-8-16-14(21)18(12)9-13(20)17-7-6-15(22,10-17)11-4-2-1-3-5-11/h1-5,22H,6-10H2,(H,16,21)
InChIKeyADGQPSVRMNHBLA-UHFFFAOYSA-N
XLogP-0.34
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.34
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-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one
CID 118770220
3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 165426020
3-[2-oxo-2-[2-oxo-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]ethyl]imidazolidine-2,4-dione
CID 70746629
3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 70776360
3-[2-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 132649347
3-[2-[(4S,4aS,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70773237
2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone
CID 91777042
3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 60624274
6-chloro-4-[2-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 138999707
3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124988091
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
3-[2-[(5S)-7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 97139712

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 90653397) is 3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)CNC1=O)N1CCC(O)(c2ccccc2)C1.
What is the InChIKey of 3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is ADGQPSVRMNHBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c19-12-8-16-14(21)18(12)9-13(20)17-7-6-15(22,10-17)11-4-2-1-3-5-11/h1-5,22H,6-10H2,(H,16,21).
What are the key properties of 3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90653397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).