3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione

C8H14N2O3 — CID 126986060

IUPAC3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione
SMILESCOC(C)[C@@H](C)N1C(=O)CNC1=O
InChIInChI=1S/C8H14N2O3/c1-5(6(2)13-3)10-7(11)4-9-8(10)12/h5-6H,4H2,1-3H3,(H,9,12)/t5-,6?/m1/s1
InChIKeyOQMSDJXSDSHBBA-LWOQYNTDSA-N
MW186.21 g/mol
LogP-0.04
Rot. Bonds3

About 3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione

3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione (PubChem CID 126986060) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione
PubChem CID126986060
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione
SMILESCOC(C)[C@@H](C)N1C(=O)CNC1=O
InChIInChI=1S/C8H14N2O3/c1-5(6(2)13-3)10-7(11)4-9-8(10)12/h5-6H,4H2,1-3H3,(H,9,12)/t5-,6?/m1/s1
InChIKeyOQMSDJXSDSHBBA-LWOQYNTDSA-N
XLogP-0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
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)-3-methoxybutan-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione (CID 126986060) is 3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione is COC(C)[C@@H](C)N1C(=O)CNC1=O.
What is the InChIKey of 3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione?
The InChIKey is OQMSDJXSDSHBBA-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(6(2)13-3)10-7(11)4-9-8(10)12/h5-6H,4H2,1-3H3,(H,9,12)/t5-,6?/m1/s1.
What are the key properties of 3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione?
3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione has a molecular weight of 186.21 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 126986060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).