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

C12H12N2O4 — CID 3047049

IUPAC2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESCc1ccccc1N1C(=O)NC(CC(=O)O)C1=O
InChIInChI=1S/C12H12N2O4/c1-7-4-2-3-5-9(7)14-11(17)8(6-10(15)16)13-12(14)18/h2-5,8H,6H2,1H3,(H,13,18)(H,15,16)
InChIKeyBLTLSQUPZXSZPR-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.89
Rot. Bonds3

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

2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid (PubChem CID 3047049) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
PubChem CID3047049
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESCc1ccccc1N1C(=O)NC(CC(=O)O)C1=O
InChIInChI=1S/C12H12N2O4/c1-7-4-2-3-5-9(7)14-11(17)8(6-10(15)16)13-12(14)18/h2-5,8H,6H2,1H3,(H,13,18)(H,15,16)
InChIKeyBLTLSQUPZXSZPR-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
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

4-Imidazolidineacetic acid, 2,5-dioxo-1-phenyl-
CID 2913270
5-Oxo-1-phenyl-2-thioxo-4-imidazolidineacetic acid
CID 2871997
4-Imidazolidineacetic acid, 1-(4-chlorophenyl)-2,5-dioxo-
CID 655649
Nle-D-I-based peptidomimetic ligand, 18
CID 23644711
(S)-N-[(S)-1-((S)-2-Carbamoyl-pyrrolidine-1-carbonyl)-2-methyl-propyl]-3-((S)-4-methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-succinamic acid
CID 10556712
5-Oxo-1-[3-(p-tolylaminooxalyl-amino)-propyl]-pyrrolidine-3-carboxylic acid
CID 3163607
N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4212204
N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 17382445
(2S)-1-[[4-(aminomethyl)phenyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 145948475
(S)-4-oxo-1-(o-tolylcarbamoyl)azetidine-2-carboxylic acid
CID 154734316
[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid
CID 11117974
Nle-D-I-based peptidomimetic ligand, 19
CID 23644712

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid (CID 3047049) is 2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid is Cc1ccccc1N1C(=O)NC(CC(=O)O)C1=O.
What is the InChIKey of 2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid?
The InChIKey is BLTLSQUPZXSZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-4-2-3-5-9(7)14-11(17)8(6-10(15)16)13-12(14)18/h2-5,8H,6H2,1H3,(H,13,18)(H,15,16).
What are the key properties of 2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid?
2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 3047049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).