3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione

C9H17N3O2 — CID 94753955

IUPAC3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC[C@@H](N)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H17N3O2/c1-4-6(10)5-12-7(13)9(2,3)11-8(12)14/h6H,4-5,10H2,1-3H3,(H,11,14)/t6-/m1/s1
InChIKeyGKYGBHWSWLOHNY-ZCFIWIBFSA-N
MW199.25 g/mol
LogP0.05
Rot. Bonds3

About 3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 94753955) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID94753955
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC[C@@H](N)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H17N3O2/c1-4-6(10)5-12-7(13)9(2,3)11-8(12)14/h6H,4-5,10H2,1-3H3,(H,11,14)/t6-/m1/s1
InChIKeyGKYGBHWSWLOHNY-ZCFIWIBFSA-N
XLogP0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione (CID 94753955) is 3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione is CC[C@@H](N)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is GKYGBHWSWLOHNY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-6(10)5-12-7(13)9(2,3)11-8(12)14/h6H,4-5,10H2,1-3H3,(H,11,14)/t6-/m1/s1.
What are the key properties of 3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 199.25 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 94753955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).