2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid

C12H19N3O5 — CID 119346548

IUPAC2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid
SMILESCCC1(CC)NC(=O)N(CC(=O)N(C)CC(=O)O)C1=O
InChIInChI=1S/C12H19N3O5/c1-4-12(5-2)10(19)15(11(20)13-12)6-8(16)14(3)7-9(17)18/h4-7H2,1-3H3,(H,13,20)(H,17,18)
InChIKeyCNKHBYSFJXCDOB-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.36
Rot. Bonds6

About 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid

2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid (PubChem CID 119346548) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid
PubChem CID119346548
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid
SMILESCCC1(CC)NC(=O)N(CC(=O)N(C)CC(=O)O)C1=O
InChIInChI=1S/C12H19N3O5/c1-4-12(5-2)10(19)15(11(20)13-12)6-8(16)14(3)7-9(17)18/h4-7H2,1-3H3,(H,13,20)(H,17,18)
InChIKeyCNKHBYSFJXCDOB-UHFFFAOYSA-N
XLogP-0.36
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid (CID 119346548) is 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid is CCC1(CC)NC(=O)N(CC(=O)N(C)CC(=O)O)C1=O.
What is the InChIKey of 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid?
The InChIKey is CNKHBYSFJXCDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-4-12(5-2)10(19)15(11(20)13-12)6-8(16)14(3)7-9(17)18/h4-7H2,1-3H3,(H,13,20)(H,17,18).
What are the key properties of 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid?
2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid has a molecular weight of 285.30 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 119346548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).