(2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C18H17FN2O3 — CID 86287796

IUPAC(2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1cc(F)ccc1-c1ccccc1
InChIInChI=1S/C18H17FN2O3/c19-13-8-9-14(12-5-2-1-3-6-12)15(11-13)20-18(24)21-10-4-7-16(21)17(22)23/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,24)(H,22,23)/t16-/m1/s1
InChIKeyFFMAQRWYSQSBHY-MRXNPFEDSA-N
MW328.34 g/mol
LogP3.57
Rot. Bonds3

About (2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 86287796) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is (2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID86287796
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name(2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1cc(F)ccc1-c1ccccc1
InChIInChI=1S/C18H17FN2O3/c19-13-8-9-14(12-5-2-1-3-6-12)15(11-13)20-18(24)21-10-4-7-16(21)17(22)23/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,24)(H,22,23)/t16-/m1/s1
InChIKeyFFMAQRWYSQSBHY-MRXNPFEDSA-N
XLogP3.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 86287796) is (2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Nc1cc(F)ccc1-c1ccccc1.
What is the InChIKey of (2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FFMAQRWYSQSBHY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-13-8-9-14(12-5-2-1-3-6-12)15(11-13)20-18(24)21-10-4-7-16(21)17(22)23/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,24)(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 328.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-fluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 86287796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).