(2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one

C9H18N2O2 — CID 135086218

IUPAC(2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one
SMILESCN1C(=O)CN(O)[C@]1(C)C(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-8(2,3)9(4)10(5)7(12)6-11(9)13/h13H,6H2,1-5H3/t9-/m1/s1
InChIKeyQAZFTHDAJCNOFT-SECBINFHSA-N
MW186.25 g/mol
LogP0.91
Rot. Bonds

About (2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one

(2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one (PubChem CID 135086218) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one
PubChem CID135086218
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one
SMILESCN1C(=O)CN(O)[C@]1(C)C(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-8(2,3)9(4)10(5)7(12)6-11(9)13/h13H,6H2,1-5H3/t9-/m1/s1
InChIKeyQAZFTHDAJCNOFT-SECBINFHSA-N
XLogP0.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one?
The IUPAC name of (2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one (CID 135086218) is (2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one.
What is the SMILES notation for (2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one?
The canonical SMILES for (2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one is CN1C(=O)CN(O)[C@]1(C)C(C)(C)C.
What is the InChIKey of (2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one?
The InChIKey is QAZFTHDAJCNOFT-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2,3)9(4)10(5)7(12)6-11(9)13/h13H,6H2,1-5H3/t9-/m1/s1.
What are the key properties of (2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one?
(2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one has a molecular weight of 186.25 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one is sourced from PubChem (CID 135086218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).