3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione

C8H15N3O3 — CID 43212312

IUPAC3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione
SMILESCNCC(O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C8H15N3O3/c1-9-3-6(12)4-11-7(13)5-10(2)8(11)14/h6,9,12H,3-5H2,1-2H3
InChIKeyGHLCBKNZGOEXBI-UHFFFAOYSA-N
MW201.23 g/mol
LogP-1.54
Rot. Bonds4

About 3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione

3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione (PubChem CID 43212312) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione
PubChem CID43212312
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione
SMILESCNCC(O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C8H15N3O3/c1-9-3-6(12)4-11-7(13)5-10(2)8(11)14/h6,9,12H,3-5H2,1-2H3
InChIKeyGHLCBKNZGOEXBI-UHFFFAOYSA-N
XLogP-1.54
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione (CID 43212312) is 3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione is CNCC(O)CN1C(=O)CN(C)C1=O.
What is the InChIKey of 3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is GHLCBKNZGOEXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-9-3-6(12)4-11-7(13)5-10(2)8(11)14/h6,9,12H,3-5H2,1-2H3.
What are the key properties of 3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione?
3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 201.23 g/mol, XLogP of -1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43212312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).