2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

C12H12N2O4 — CID 125482464

IUPAC2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCc1ccccc1[C@H]1NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C12H12N2O4/c1-7-4-2-3-5-8(7)10-11(17)14(6-9(15)16)12(18)13-10/h2-5,10H,6H2,1H3,(H,13,18)(H,15,16)/t10-/m1/s1
InChIKeyOKBCKMIDIIQJSF-SNVBAGLBSA-N
MW248.24 g/mol
LogP0.67
Rot. Bonds3

About 2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 125482464) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID125482464
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCc1ccccc1[C@H]1NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C12H12N2O4/c1-7-4-2-3-5-8(7)10-11(17)14(6-9(15)16)12(18)13-10/h2-5,10H,6H2,1H3,(H,13,18)(H,15,16)/t10-/m1/s1
InChIKeyOKBCKMIDIIQJSF-SNVBAGLBSA-N
XLogP0.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 82303598
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 125482450
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetohydrazide
CID 84571871
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
5-(2-bromophenyl)-3-ethylimidazolidine-2,4-dione
CID 154762580
(3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione
CID 51893600
2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 82306781
N-(4-chloro-2-methylphenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571672
butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 84572142
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
5-(2-bromophenyl)-3-phenylimidazolidine-2,4-dione
CID 142772512

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 125482464) is 2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is Cc1ccccc1[C@H]1NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is OKBCKMIDIIQJSF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-4-2-3-5-8(7)10-11(17)14(6-9(15)16)12(18)13-10/h2-5,10H,6H2,1H3,(H,13,18)(H,15,16)/t10-/m1/s1.
What are the key properties of 2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 125482464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).