2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid

C14H14N2O4 — CID 82306781

IUPAC2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)NC(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C14H14N2O4/c17-11(18)7-16-13(19)12(15-14(16)20)10-5-4-8-2-1-3-9(8)6-10/h4-6,12H,1-3,7H2,(H,15,20)(H,17,18)
InChIKeyAACOPSDKWAHWMG-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.85
Rot. Bonds3

About 2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 82306781) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID82306781
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)NC(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C14H14N2O4/c17-11(18)7-16-13(19)12(15-14(16)20)10-5-4-8-2-1-3-9(8)6-10/h4-6,12H,1-3,7H2,(H,15,20)(H,17,18)
InChIKeyAACOPSDKWAHWMG-UHFFFAOYSA-N
XLogP0.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-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

Related Compounds

2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 125482464
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetohydrazide
CID 84571871
4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one
CID 116980815
5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione
CID 70201313
1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone
CID 82623646
3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 55401238
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 8011147
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
3-(2,3-dihydro-1H-inden-5-yl)piperidin-4-amine
CID 82614224
N-(4-anilinophenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571858
3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 84572007

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 82306781) is 2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid is O=C(O)CN1C(=O)NC(c2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is AACOPSDKWAHWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-11(18)7-16-13(19)12(15-14(16)20)10-5-4-8-2-1-3-9(8)6-10/h4-6,12H,1-3,7H2,(H,15,20)(H,17,18).
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 82306781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).