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

C7H10N2O4 — CID 2554535

IUPAC4-(2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1C(=O)CNC1=O
InChIInChI=1S/C7H10N2O4/c10-5-4-8-7(13)9(5)3-1-2-6(11)12/h1-4H2,(H,8,13)(H,11,12)
InChIKeyGYEHTLIBCNQARC-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.60
Rot. Bonds4

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

4-(2,5-dioxoimidazolidin-1-yl)butanoic acid (PubChem CID 2554535) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 4-(2,5-dioxoimidazolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,5-dioxoimidazolidin-1-yl)butanoic acid
PubChem CID2554535
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name4-(2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1C(=O)CNC1=O
InChIInChI=1S/C7H10N2O4/c10-5-4-8-7(13)9(5)3-1-2-6(11)12/h1-4H2,(H,8,13)(H,11,12)
InChIKeyGYEHTLIBCNQARC-UHFFFAOYSA-N
XLogP-0.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.60
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

4-(3-Methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 4962436
Hydantoinpropionic acid
CID 69303592
4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 4962194
4-Oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid
CID 2810719
4-[[4-Oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carbonyl]amino]butanoic acid
CID 122021922
4-[[4-Oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carbonyl]amino]butanoic acid
CID 122022665
2-(1-Methyl-2,5-dioxoimidazolidin-4-yl)acetic acid
CID 548276
2-(3-Isopropyl-2,5-dioxoimidazolidin-4-yl)acetic acid
CID 16394958
3-n-Butylhydantoin-5-acetic acid
CID 12942452
4-Oxo-4-(2-oxoimidazolidin-1-yl)butanoic acid
CID 14273524
3-(2,5-Dioxoimidazolidin-1-yl)propanoic acid
CID 16783630
2-(3-Methyl-2,5-dioxoimidazolidin-4-yl)acetic acid
CID 17986943

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxoimidazolidin-1-yl)butanoic acid?
The IUPAC name of 4-(2,5-dioxoimidazolidin-1-yl)butanoic acid (CID 2554535) is 4-(2,5-dioxoimidazolidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(2,5-dioxoimidazolidin-1-yl)butanoic acid?
The canonical SMILES for 4-(2,5-dioxoimidazolidin-1-yl)butanoic acid is O=C(O)CCCN1C(=O)CNC1=O.
What is the InChIKey of 4-(2,5-dioxoimidazolidin-1-yl)butanoic acid?
The InChIKey is GYEHTLIBCNQARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-5-4-8-7(13)9(5)3-1-2-6(11)12/h1-4H2,(H,8,13)(H,11,12).
What are the key properties of 4-(2,5-dioxoimidazolidin-1-yl)butanoic acid?
4-(2,5-dioxoimidazolidin-1-yl)butanoic acid has a molecular weight of 186.17 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxoimidazolidin-1-yl)butanoic acid is sourced from PubChem (CID 2554535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).