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

C15H12N2O4 — CID 91641286

IUPAC2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESO=C(O)C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C15H12N2O4/c18-13(19)8-11-14(20)17(15(21)16-11)12-7-3-5-9-4-1-2-6-10(9)12/h1-7,11H,8H2,(H,16,21)(H,18,19)/t11-/m0/s1
InChIKeyQLPCDVODFJPCDD-NSHDSACASA-N
MW284.27 g/mol
LogP1.74
Rot. Bonds3

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

2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid (PubChem CID 91641286) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid
PubChem CID91641286
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESO=C(O)C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C15H12N2O4/c18-13(19)8-11-14(20)17(15(21)16-11)12-7-3-5-9-4-1-2-6-10(9)12/h1-7,11H,8H2,(H,16,21)(H,18,19)/t11-/m0/s1
InChIKeyQLPCDVODFJPCDD-NSHDSACASA-N
XLogP1.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid (CID 91641286) is 2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid is O=C(O)C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of 2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid?
The InChIKey is QLPCDVODFJPCDD-NSHDSACASA-N. The full InChI is InChI=1S/C15H12N2O4/c18-13(19)8-11-14(20)17(15(21)16-11)12-7-3-5-9-4-1-2-6-10(9)12/h1-7,11H,8H2,(H,16,21)(H,18,19)/t11-/m0/s1.
What are the key properties of 2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid?
2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid has a molecular weight of 284.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 91641286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).