(2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid

C9H14N2O4 — CID 69108752

IUPAC(2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1C(=O)CNC1=O
InChIInChI=1S/C9H14N2O4/c1-5(2)3-6(8(13)14)11-7(12)4-10-9(11)15/h5-6H,3-4H2,1-2H3,(H,10,15)(H,13,14)/t6-/m0/s1
InChIKeyQIOKABPZTZHLFP-LURJTMIESA-N
MW214.22 g/mol
LogP0.04
Rot. Bonds4

About (2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid

(2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid (PubChem CID 69108752) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
PubChem CID69108752
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1C(=O)CNC1=O
InChIInChI=1S/C9H14N2O4/c1-5(2)3-6(8(13)14)11-7(12)4-10-9(11)15/h5-6H,3-4H2,1-2H3,(H,10,15)(H,13,14)/t6-/m0/s1
InChIKeyQIOKABPZTZHLFP-LURJTMIESA-N
XLogP0.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.04
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 (2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid (CID 69108752) is (2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid is CC(C)C[C@@H](C(=O)O)N1C(=O)CNC1=O.
What is the InChIKey of (2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid?
The InChIKey is QIOKABPZTZHLFP-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N2O4/c1-5(2)3-6(8(13)14)11-7(12)4-10-9(11)15/h5-6H,3-4H2,1-2H3,(H,10,15)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid?
(2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid has a molecular weight of 214.22 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid is sourced from PubChem (CID 69108752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).