2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid

C18H18FN3O4 — CID 134081090

IUPAC2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1F)C1CC(c2ccc(O)cc2)NN1
InChIInChI=1S/C18H18FN3O4/c19-13-4-2-1-3-12(13)16(18(25)26)20-17(24)15-9-14(21-22-15)10-5-7-11(23)8-6-10/h1-8,14-16,21-23H,9H2,(H,20,24)(H,25,26)
InChIKeyAEPMJDOYICCNHG-UHFFFAOYSA-N
MW359.36 g/mol
LogP1.38
Rot. Bonds5

About 2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid

2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid (PubChem CID 134081090) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid
PubChem CID134081090
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1F)C1CC(c2ccc(O)cc2)NN1
InChIInChI=1S/C18H18FN3O4/c19-13-4-2-1-3-12(13)16(18(25)26)20-17(24)15-9-14(21-22-15)10-5-7-11(23)8-6-10/h1-8,14-16,21-23H,9H2,(H,20,24)(H,25,26)
InChIKeyAEPMJDOYICCNHG-UHFFFAOYSA-N
XLogP1.38
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid (CID 134081090) is 2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid is O=C(NC(C(=O)O)c1ccccc1F)C1CC(c2ccc(O)cc2)NN1.
What is the InChIKey of 2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid?
The InChIKey is AEPMJDOYICCNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c19-13-4-2-1-3-12(13)16(18(25)26)20-17(24)15-9-14(21-22-15)10-5-7-11(23)8-6-10/h1-8,14-16,21-23H,9H2,(H,20,24)(H,25,26).
What are the key properties of 2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid?
2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid has a molecular weight of 359.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 134081090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).