3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione

C13H23N3O4 — CID 95390025

IUPAC3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C[C@H](O)CN2CCC(O)CC2)C1=O
InChIInChI=1S/C13H23N3O4/c1-13(2)11(19)16(12(20)14-13)8-10(18)7-15-5-3-9(17)4-6-15/h9-10,17-18H,3-8H2,1-2H3,(H,14,20)/t10-/m1/s1
InChIKeyRTSKQVUCKLJKQS-SNVBAGLBSA-N
MW285.34 g/mol
LogP-0.87
Rot. Bonds4

About 3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 95390025) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID95390025
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C[C@H](O)CN2CCC(O)CC2)C1=O
InChIInChI=1S/C13H23N3O4/c1-13(2)11(19)16(12(20)14-13)8-10(18)7-15-5-3-9(17)4-6-15/h9-10,17-18H,3-8H2,1-2H3,(H,14,20)/t10-/m1/s1
InChIKeyRTSKQVUCKLJKQS-SNVBAGLBSA-N
XLogP-0.87
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 53367764
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 47556102
3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 95582367
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-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 95389250
5-(furan-2-yl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556335
5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556194
3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43393443
3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 1422079
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47556184
3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 6949688

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 95390025) is 3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C[C@H](O)CN2CCC(O)CC2)C1=O.
What is the InChIKey of 3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is RTSKQVUCKLJKQS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2)11(19)16(12(20)14-13)8-10(18)7-15-5-3-9(17)4-6-15/h9-10,17-18H,3-8H2,1-2H3,(H,14,20)/t10-/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 285.34 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 95390025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).