2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid

C14H14N2O4 — CID 4961958

IUPAC2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid
SMILESO=C(O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C14H14N2O4/c17-11(18)8-16-12(19)14(15-13(16)20)7-3-5-9-4-1-2-6-10(9)14/h1-2,4,6H,3,5,7-8H2,(H,15,20)(H,17,18)
InChIKeyLXXBNJDKFZOGLD-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.85
Rot. Bonds2

About 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid (PubChem CID 4961958) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid
PubChem CID4961958
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid
SMILESO=C(O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C14H14N2O4/c17-11(18)8-16-12(19)14(15-13(16)20)7-3-5-9-4-1-2-6-10(9)14/h1-2,4,6H,3,5,7-8H2,(H,15,20)(H,17,18)
InChIKeyLXXBNJDKFZOGLD-UHFFFAOYSA-N
XLogP0.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid (CID 4961958) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid is O=C(O)CN1C(=O)NC2(CCCc3ccccc32)C1=O.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid?
The InChIKey is LXXBNJDKFZOGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-11(18)8-16-12(19)14(15-13(16)20)7-3-5-9-4-1-2-6-10(9)14/h1-2,4,6H,3,5,7-8H2,(H,15,20)(H,17,18).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid?
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid has a molecular weight of 274.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetic acid is sourced from PubChem (CID 4961958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).