3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione

C12H22N3O3+ — CID 1422079

IUPAC3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C[C@@H](O)C[NH+]2CCCC2)C1=O
InChIInChI=1S/C12H21N3O3/c1-12(2)10(17)15(11(18)13-12)8-9(16)7-14-5-3-4-6-14/h9,16H,3-8H2,1-2H3,(H,13,18)/p+1/t9-/m0/s1
InChIKeyWIVARDLUAQIXCF-VIFPVBQESA-O
MW256.33 g/mol
LogP-1.64
Rot. Bonds4

About 3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 1422079) has the molecular formula C12H22N3O3+ and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID1422079
Molecular FormulaC12H22N3O3+
Molecular Weight256.33 g/mol
Exact Mass256.17
IUPAC Name3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C[C@@H](O)C[NH+]2CCCC2)C1=O
InChIInChI=1S/C12H21N3O3/c1-12(2)10(17)15(11(18)13-12)8-9(16)7-14-5-3-4-6-14/h9,16H,3-8H2,1-2H3,(H,13,18)/p+1/t9-/m0/s1
InChIKeyWIVARDLUAQIXCF-VIFPVBQESA-O
XLogP-1.64
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 6949688
1,3,5-tris[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
CID 5086374
3-[3-(cyclopropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43165980
3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 95390025
2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 53367764
3-[(2S)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 9459459
3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 742840
3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 40593052
3-[3-[4-[2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 2884368
3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 92853467
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94753955

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 1422079) is 3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C[C@@H](O)C[NH+]2CCCC2)C1=O.
What is the InChIKey of 3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is WIVARDLUAQIXCF-VIFPVBQESA-O. The full InChI is InChI=1S/C12H21N3O3/c1-12(2)10(17)15(11(18)13-12)8-9(16)7-14-5-3-4-6-14/h9,16H,3-8H2,1-2H3,(H,13,18)/p+1/t9-/m0/s1.
What are the key properties of 3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 256.33 g/mol, XLogP of -1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 1422079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).