2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid

C12H12N2O4 — CID 75488650

IUPAC2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESO=C(O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H12N2O4/c15-10(16)6-9-11(17)14(12(18)13-9)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)/t9-/m0/s1
InChIKeyZRUYNQKIQVLGMT-VIFPVBQESA-N
MW248.24 g/mol
LogP0.58
Rot. Bonds4

About 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid

2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid (PubChem CID 75488650) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid
PubChem CID75488650
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESO=C(O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H12N2O4/c15-10(16)6-9-11(17)14(12(18)13-9)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)/t9-/m0/s1
InChIKeyZRUYNQKIQVLGMT-VIFPVBQESA-N
XLogP0.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic 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 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid (CID 75488650) is 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid is O=C(O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid?
The InChIKey is ZRUYNQKIQVLGMT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12N2O4/c15-10(16)6-9-11(17)14(12(18)13-9)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)/t9-/m0/s1.
What are the key properties of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid?
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 75488650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).