1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid

C15H15FN2O3 — CID 114351327

IUPAC1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1cc(F)cc2cccnc12
InChIInChI=1S/C15H15FN2O3/c16-11-4-9-2-1-3-17-14(9)10(5-11)7-18-8-12(19)6-13(18)15(20)21/h1-5,12-13,19H,6-8H2,(H,20,21)
InChIKeyGJNWGXFADIQZQT-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.39
Rot. Bonds3

About 1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351327) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351327
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1cc(F)cc2cccnc12
InChIInChI=1S/C15H15FN2O3/c16-11-4-9-2-1-3-17-14(9)10(5-11)7-18-8-12(19)6-13(18)15(20)21/h1-5,12-13,19H,6-8H2,(H,20,21)
InChIKeyGJNWGXFADIQZQT-UHFFFAOYSA-N
XLogP1.39
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351327) is 1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1Cc1cc(F)cc2cccnc12.
What is the InChIKey of 1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is GJNWGXFADIQZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-11-4-9-2-1-3-17-14(9)10(5-11)7-18-8-12(19)6-13(18)15(20)21/h1-5,12-13,19H,6-8H2,(H,20,21).
What are the key properties of 1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).