2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid

C12H19N3O6 — CID 79469023

IUPAC2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid
SMILESCCC1(C)NC(=O)N(CC(=O)NCCOCC(=O)O)C1=O
InChIInChI=1S/C12H19N3O6/c1-3-12(2)10(19)15(11(20)14-12)6-8(16)13-4-5-21-7-9(17)18/h3-7H2,1-2H3,(H,13,16)(H,14,20)(H,17,18)
InChIKeyBCMITOKRGPQMOW-UHFFFAOYSA-N
MW301.30 g/mol
LogP-1.08
Rot. Bonds8

About 2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid

2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid (PubChem CID 79469023) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid
PubChem CID79469023
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Name2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid
SMILESCCC1(C)NC(=O)N(CC(=O)NCCOCC(=O)O)C1=O
InChIInChI=1S/C12H19N3O6/c1-3-12(2)10(19)15(11(20)14-12)6-8(16)13-4-5-21-7-9(17)18/h3-7H2,1-2H3,(H,13,16)(H,14,20)(H,17,18)
InChIKeyBCMITOKRGPQMOW-UHFFFAOYSA-N
XLogP-1.08
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
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-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid (CID 79469023) is 2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid is CCC1(C)NC(=O)N(CC(=O)NCCOCC(=O)O)C1=O.
What is the InChIKey of 2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid?
The InChIKey is BCMITOKRGPQMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O6/c1-3-12(2)10(19)15(11(20)14-12)6-8(16)13-4-5-21-7-9(17)18/h3-7H2,1-2H3,(H,13,16)(H,14,20)(H,17,18).
What are the key properties of 2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid?
2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid has a molecular weight of 301.30 g/mol, XLogP of -1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79469023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).