2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid

C12H19N3O6 — CID 79468904

IUPAC2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid
SMILESCN1CC(=O)N(CCCC(=O)NCCOCC(=O)O)C1=O
InChIInChI=1S/C12H19N3O6/c1-14-7-10(17)15(12(14)20)5-2-3-9(16)13-4-6-21-8-11(18)19/h2-8H2,1H3,(H,13,16)(H,18,19)
InChIKeyGPATWGNHRGOASD-UHFFFAOYSA-N
MW301.30 g/mol
LogP-1.12
Rot. Bonds9

About 2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid

2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid (PubChem CID 79468904) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid
PubChem CID79468904
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Name2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid
SMILESCN1CC(=O)N(CCCC(=O)NCCOCC(=O)O)C1=O
InChIInChI=1S/C12H19N3O6/c1-14-7-10(17)15(12(14)20)5-2-3-9(16)13-4-6-21-8-11(18)19/h2-8H2,1H3,(H,13,16)(H,18,19)
InChIKeyGPATWGNHRGOASD-UHFFFAOYSA-N
XLogP-1.12
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid (CID 79468904) is 2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid is CN1CC(=O)N(CCCC(=O)NCCOCC(=O)O)C1=O.
What is the InChIKey of 2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid?
The InChIKey is GPATWGNHRGOASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O6/c1-14-7-10(17)15(12(14)20)5-2-3-9(16)13-4-6-21-8-11(18)19/h2-8H2,1H3,(H,13,16)(H,18,19).
What are the key properties of 2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid?
2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid has a molecular weight of 301.30 g/mol, XLogP of -1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79468904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).