3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid

C10H17N3O4 — CID 43466330

IUPAC3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid
SMILESCC1(C)NC(=O)N(CCNCCC(=O)O)C1=O
InChIInChI=1S/C10H17N3O4/c1-10(2)8(16)13(9(17)12-10)6-5-11-4-3-7(14)15/h11H,3-6H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyDSXOEXVXVTTXGA-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.62
Rot. Bonds6

About 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid

3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid (PubChem CID 43466330) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid
PubChem CID43466330
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid
SMILESCC1(C)NC(=O)N(CCNCCC(=O)O)C1=O
InChIInChI=1S/C10H17N3O4/c1-10(2)8(16)13(9(17)12-10)6-5-11-4-3-7(14)15/h11H,3-6H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyDSXOEXVXVTTXGA-UHFFFAOYSA-N
XLogP-0.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid?
The IUPAC name of 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid (CID 43466330) is 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid?
The canonical SMILES for 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid is CC1(C)NC(=O)N(CCNCCC(=O)O)C1=O.
What is the InChIKey of 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid?
The InChIKey is DSXOEXVXVTTXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-10(2)8(16)13(9(17)12-10)6-5-11-4-3-7(14)15/h11H,3-6H2,1-2H3,(H,12,17)(H,14,15).
What are the key properties of 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid?
3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid is sourced from PubChem (CID 43466330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).