(2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

C15H18FNO3 — CID 119371357

IUPAC(2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(Cc1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C15H18FNO3/c1-10(9-11-4-6-12(16)7-5-11)14(18)17-8-2-3-13(17)15(19)20/h4-7,10,13H,2-3,8-9H2,1H3,(H,19,20)/t10?,13-/m1/s1
InChIKeyARPKNCZHIWAOFO-JLOHTSLTSA-N
MW279.31 g/mol
LogP2.08
Rot. Bonds4

About (2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371357) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is (2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119371357
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name(2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(Cc1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C15H18FNO3/c1-10(9-11-4-6-12(16)7-5-11)14(18)17-8-2-3-13(17)15(19)20/h4-7,10,13H,2-3,8-9H2,1H3,(H,19,20)/t10?,13-/m1/s1
InChIKeyARPKNCZHIWAOFO-JLOHTSLTSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid (CID 119371357) is (2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid is CC(Cc1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ARPKNCZHIWAOFO-JLOHTSLTSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10(9-11-4-6-12(16)7-5-11)14(18)17-8-2-3-13(17)15(19)20/h4-7,10,13H,2-3,8-9H2,1H3,(H,19,20)/t10?,13-/m1/s1.
What are the key properties of (2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).