imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid

C8H13N3O4 — CID 67836329

IUPACimidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1.O=C1CNC(=O)N1
InChIInChI=1S/C5H9NO2.C3H4N2O2/c7-5(8)4-2-1-3-6-4;6-2-1-4-3(7)5-2/h4,6H,1-3H2,(H,7,8);1H2,(H2,4,5,6,7)/t4-;/m0./s1
InChIKeyWFQXRENQCQWEHE-WCCKRBBISA-N
MW215.21 g/mol
LogP-1.35
Rot. Bonds1

About imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid

imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 67836329) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Nameimidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID67836329
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Nameimidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1.O=C1CNC(=O)N1
InChIInChI=1S/C5H9NO2.C3H4N2O2/c7-5(8)4-2-1-3-6-4;6-2-1-4-3(7)5-2/h4,6H,1-3H2,(H,7,8);1H2,(H2,4,5,6,7)/t4-;/m0./s1
InChIKeyWFQXRENQCQWEHE-WCCKRBBISA-N
XLogP-1.35
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid (CID 67836329) is imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1.O=C1CNC(=O)N1.
What is the InChIKey of imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is WFQXRENQCQWEHE-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.C3H4N2O2/c7-5(8)4-2-1-3-6-4;6-2-1-4-3(7)5-2/h4,6H,1-3H2,(H,7,8);1H2,(H2,4,5,6,7)/t4-;/m0./s1.
What are the key properties of imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid?
imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of -1.35, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67836329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).