3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid

C8H12N2O4 — CID 112546497

IUPAC3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESCC1NC(=O)N(C(C)CC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-4(3-6(11)12)10-7(13)5(2)9-8(10)14/h4-5H,3H2,1-2H3,(H,9,14)(H,11,12)
InChIKeyALJKBKAFBOIMFI-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.21
Rot. Bonds3

About 3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid

3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid (PubChem CID 112546497) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
PubChem CID112546497
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESCC1NC(=O)N(C(C)CC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-4(3-6(11)12)10-7(13)5(2)9-8(10)14/h4-5H,3H2,1-2H3,(H,9,14)(H,11,12)
InChIKeyALJKBKAFBOIMFI-UHFFFAOYSA-N
XLogP-0.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
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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Related Compounds

3-(1-cyclopropylethyl)-5-methylimidazolidine-2,4-dione
CID 130685738
3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid
CID 70615236
3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
CID 65298317
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid
CID 61071116
3-(2,4-dioxo-8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-methylpentanoic acid
CID 102689508
3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid
CID 112546718
3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979678
3-[(2S)-2-methylpiperazin-1-yl]butanoic acid
CID 82755213
2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
CID 82157268
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979660
3-(4-aminopiperidin-1-yl)butanoic acid
CID 43556886
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The IUPAC name of 3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid (CID 112546497) is 3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid.
What is the SMILES notation for 3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The canonical SMILES for 3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid is CC1NC(=O)N(C(C)CC(=O)O)C1=O.
What is the InChIKey of 3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The InChIKey is ALJKBKAFBOIMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-4(3-6(11)12)10-7(13)5(2)9-8(10)14/h4-5H,3H2,1-2H3,(H,9,14)(H,11,12).
What are the key properties of 3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid has a molecular weight of 200.19 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 3-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid is sourced from PubChem (CID 112546497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).