2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid

C13H23N3O4 — CID 60834396

IUPAC2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid
SMILESCCC(C)N(CCN1C(=O)NC(C)(C)C1=O)CC(=O)O
InChIInChI=1S/C13H23N3O4/c1-5-9(2)15(8-10(17)18)6-7-16-11(19)13(3,4)14-12(16)20/h9H,5-8H2,1-4H3,(H,14,20)(H,17,18)
InChIKeyRSEAWISXNCWISP-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.50
Rot. Bonds7

About 2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid

2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid (PubChem CID 60834396) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid
PubChem CID60834396
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid
SMILESCCC(C)N(CCN1C(=O)NC(C)(C)C1=O)CC(=O)O
InChIInChI=1S/C13H23N3O4/c1-5-9(2)15(8-10(17)18)6-7-16-11(19)13(3,4)14-12(16)20/h9H,5-8H2,1-4H3,(H,14,20)(H,17,18)
InChIKeyRSEAWISXNCWISP-UHFFFAOYSA-N
XLogP0.50
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.50
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-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid (CID 60834396) is 2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid is CCC(C)N(CCN1C(=O)NC(C)(C)C1=O)CC(=O)O.
What is the InChIKey of 2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid?
The InChIKey is RSEAWISXNCWISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-5-9(2)15(8-10(17)18)6-7-16-11(19)13(3,4)14-12(16)20/h9H,5-8H2,1-4H3,(H,14,20)(H,17,18).
What are the key properties of 2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid?
2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 60834396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).