2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid

C9H12N2O4 — CID 3162839

IUPAC2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
SMILESCC1(C2CC2)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C9H12N2O4/c1-9(5-2-3-5)7(14)11(4-6(12)13)8(15)10-9/h5H,2-4H2,1H3,(H,10,15)(H,12,13)
InChIKeyTVQQMCMNFNVIIE-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.21
Rot. Bonds3

About 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid (PubChem CID 3162839) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
PubChem CID3162839
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
SMILESCC1(C2CC2)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C9H12N2O4/c1-9(5-2-3-5)7(14)11(4-6(12)13)8(15)10-9/h5H,2-4H2,1H3,(H,10,15)(H,12,13)
InChIKeyTVQQMCMNFNVIIE-UHFFFAOYSA-N
XLogP-0.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.21
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 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid (CID 3162839) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid is CC1(C2CC2)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
The InChIKey is TVQQMCMNFNVIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-9(5-2-3-5)7(14)11(4-6(12)13)8(15)10-9/h5H,2-4H2,1H3,(H,10,15)(H,12,13).
What are the key properties of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid has a molecular weight of 212.20 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 3162839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).