3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione

C12H19N3O5 — CID 106671587

IUPAC3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCCC(=O)N2CC(O)C(O)C2)C1=O
InChIInChI=1S/C12H19N3O5/c1-13-7-11(19)15(12(13)20)4-2-3-10(18)14-5-8(16)9(17)6-14/h8-9,16-17H,2-7H2,1H3
InChIKeyPZNBPUAQGCDTHB-UHFFFAOYSA-N
MW285.30 g/mol
LogP-1.78
Rot. Bonds4

About 3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione

3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione (PubChem CID 106671587) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione
PubChem CID106671587
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCCC(=O)N2CC(O)C(O)C2)C1=O
InChIInChI=1S/C12H19N3O5/c1-13-7-11(19)15(12(13)20)4-2-3-10(18)14-5-8(16)9(17)6-14/h8-9,16-17H,2-7H2,1H3
InChIKeyPZNBPUAQGCDTHB-UHFFFAOYSA-N
XLogP-1.78
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 115966197
1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
CID 106801687
N-[(3-hydroxycyclopentyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 103280677
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 112779002
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82725201
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]hexan-1-one
CID 79410087
N-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide
CID 9405113
N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 79194682
1-(3,4-dihydroxypyrrolidin-1-yl)-5-methylhexan-1-one
CID 130410946
1-(3,4-dihydroxypyrrolidin-1-yl)octan-1-one
CID 86230613
3-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 55434992
3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 119435379

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione (CID 106671587) is 3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CCCC(=O)N2CC(O)C(O)C2)C1=O.
What is the InChIKey of 3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is PZNBPUAQGCDTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-13-7-11(19)15(12(13)20)4-2-3-10(18)14-5-8(16)9(17)6-14/h8-9,16-17H,2-7H2,1H3.
What are the key properties of 3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione?
3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 285.30 g/mol, XLogP of -1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 106671587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).