3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione

C9H17N3O3 — CID 115773268

IUPAC3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione
SMILESCC(CO)N(C)CCN1C(=O)CNC1=O
InChIInChI=1S/C9H17N3O3/c1-7(6-13)11(2)3-4-12-8(14)5-10-9(12)15/h7,13H,3-6H2,1-2H3,(H,10,15)
InChIKeySQUXZLLMQRIUJK-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.15
Rot. Bonds5

About 3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione

3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione (PubChem CID 115773268) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione
PubChem CID115773268
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione
SMILESCC(CO)N(C)CCN1C(=O)CNC1=O
InChIInChI=1S/C9H17N3O3/c1-7(6-13)11(2)3-4-12-8(14)5-10-9(12)15/h7,13H,3-6H2,1-2H3,(H,10,15)
InChIKeySQUXZLLMQRIUJK-UHFFFAOYSA-N
XLogP-1.15
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione
CID 112734238
3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 103601173
3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione
CID 79683003
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 111829512
3-(chloromethyl)imidazolidine-2,4-dione
CID 55286294
3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione
CID 79661344
3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione
CID 51076814
1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione
CID 75386819
3-(2-butoxyethyl)imidazolidine-2,4-dione
CID 103935917
2-(2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202709
(2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide
CID 95339120
3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione
CID 107861614

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione (CID 115773268) is 3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione is CC(CO)N(C)CCN1C(=O)CNC1=O.
What is the InChIKey of 3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione?
The InChIKey is SQUXZLLMQRIUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-7(6-13)11(2)3-4-12-8(14)5-10-9(12)15/h7,13H,3-6H2,1-2H3,(H,10,15).
What are the key properties of 3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione?
3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione has a molecular weight of 215.25 g/mol, XLogP of -1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 115773268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).