3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione

C9H17N3O4 — CID 115475508

IUPAC3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione
SMILESCOCCNCC(O)CN1C(=O)CNC1=O
InChIInChI=1S/C9H17N3O4/c1-16-3-2-10-4-7(13)6-12-8(14)5-11-9(12)15/h7,10,13H,2-6H2,1H3,(H,11,15)
InChIKeyVRUCISDXJLQADX-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.86
Rot. Bonds7

About 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione

3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione (PubChem CID 115475508) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione
PubChem CID115475508
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione
SMILESCOCCNCC(O)CN1C(=O)CNC1=O
InChIInChI=1S/C9H17N3O4/c1-16-3-2-10-4-7(13)6-12-8(14)5-11-9(12)15/h7,10,13H,2-6H2,1H3,(H,11,15)
InChIKeyVRUCISDXJLQADX-UHFFFAOYSA-N
XLogP-1.86
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-hydroxy-3-(2-methoxyethylamino)propyl]morpholine-3,5-dione
CID 115475673
1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
CID 115475514
1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475430
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-fluoro-3-(2-methoxyethylamino)propan-2-ol
CID 131182194
1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 113317417
1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 78971493
3-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]imidazolidine-2,4-dione
CID 35583808
5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
CID 115475877
1-(2-cyclopentylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475177
1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one
CID 115475683
3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one
CID 115475830

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione (CID 115475508) is 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione is COCCNCC(O)CN1C(=O)CNC1=O.
What is the InChIKey of 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione?
The InChIKey is VRUCISDXJLQADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-16-3-2-10-4-7(13)6-12-8(14)5-11-9(12)15/h7,10,13H,2-6H2,1H3,(H,11,15).
What are the key properties of 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione?
3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione has a molecular weight of 231.25 g/mol, XLogP of -1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 115475508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).