(2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid

C9H14N2O4 — CID 68791456

IUPAC(2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](C(=O)O)N1CC(=O)NC1=O
InChIInChI=1S/C9H14N2O4/c1-9(2,3)6(7(13)14)11-4-5(12)10-8(11)15/h6H,4H2,1-3H3,(H,13,14)(H,10,12,15)/t6-/m1/s1
InChIKeyJJVBTNQMJMAERF-ZCFIWIBFSA-N
MW214.22 g/mol
LogP0.04
Rot. Bonds2

About (2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid

(2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid (PubChem CID 68791456) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid
PubChem CID68791456
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](C(=O)O)N1CC(=O)NC1=O
InChIInChI=1S/C9H14N2O4/c1-9(2,3)6(7(13)14)11-4-5(12)10-8(11)15/h6H,4H2,1-3H3,(H,13,14)(H,10,12,15)/t6-/m1/s1
InChIKeyJJVBTNQMJMAERF-ZCFIWIBFSA-N
XLogP0.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid (CID 68791456) is (2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](C(=O)O)N1CC(=O)NC1=O.
What is the InChIKey of (2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid?
The InChIKey is JJVBTNQMJMAERF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-9(2,3)6(7(13)14)11-4-5(12)10-8(11)15/h6H,4H2,1-3H3,(H,13,14)(H,10,12,15)/t6-/m1/s1.
What are the key properties of (2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid?
(2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid has a molecular weight of 214.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 68791456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).