(2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C18H17FN2O3 — CID 86287792

IUPAC(2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1c(F)cccc1-c1ccccc1
InChIInChI=1S/C18H17FN2O3/c19-14-9-4-8-13(12-6-2-1-3-7-12)16(14)20-18(24)21-11-5-10-15(21)17(22)23/h1-4,6-9,15H,5,10-11H2,(H,20,24)(H,22,23)/t15-/m1/s1
InChIKeyDACZNDORXFKNKI-OAHLLOKOSA-N
MW328.34 g/mol
LogP3.57
Rot. Bonds3

About (2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 86287792) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is (2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID86287792
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name(2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1c(F)cccc1-c1ccccc1
InChIInChI=1S/C18H17FN2O3/c19-14-9-4-8-13(12-6-2-1-3-7-12)16(14)20-18(24)21-11-5-10-15(21)17(22)23/h1-4,6-9,15H,5,10-11H2,(H,20,24)(H,22,23)/t15-/m1/s1
InChIKeyDACZNDORXFKNKI-OAHLLOKOSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 86287792) is (2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Nc1c(F)cccc1-c1ccccc1.
What is the InChIKey of (2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DACZNDORXFKNKI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-9-4-8-13(12-6-2-1-3-7-12)16(14)20-18(24)21-11-5-10-15(21)17(22)23/h1-4,6-9,15H,5,10-11H2,(H,20,24)(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(2-fluoro-6-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-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 86287792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).