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

C11H18N2O4 — CID 69108488

IUPAC(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H18N2O4/c1-6(2)5-7(8(14)15)13-9(16)11(3,4)12-10(13)17/h6-7H,5H2,1-4H3,(H,12,17)(H,14,15)/t7-/m0/s1
InChIKeyDEPFSGNABVLYLL-ZETCQYMHSA-N
MW242.27 g/mol
LogP0.82
Rot. Bonds4

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

(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid (PubChem CID 69108488) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
PubChem CID69108488
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H18N2O4/c1-6(2)5-7(8(14)15)13-9(16)11(3,4)12-10(13)17/h6-7H,5H2,1-4H3,(H,12,17)(H,14,15)/t7-/m0/s1
InChIKeyDEPFSGNABVLYLL-ZETCQYMHSA-N
XLogP0.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.82
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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid (CID 69108488) is (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid is CC(C)C[C@@H](C(=O)O)N1C(=O)NC(C)(C)C1=O.
What is the InChIKey of (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid?
The InChIKey is DEPFSGNABVLYLL-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-6(2)5-7(8(14)15)13-9(16)11(3,4)12-10(13)17/h6-7H,5H2,1-4H3,(H,12,17)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid?
(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid has a molecular weight of 242.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid is sourced from PubChem (CID 69108488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).