(2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid

C19H17F3N2O3 — CID 86287794

IUPAC(2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)13-8-9-14(12-5-2-1-3-6-12)15(11-13)23-18(27)24-10-4-7-16(24)17(25)26/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,23,27)(H,25,26)/t16-/m1/s1
InChIKeyLTOPDEUWNTVFHV-MRXNPFEDSA-N
MW378.35 g/mol
LogP4.45
Rot. Bonds3

About (2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 86287794) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is (2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID86287794
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name(2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)13-8-9-14(12-5-2-1-3-6-12)15(11-13)23-18(27)24-10-4-7-16(24)17(25)26/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,23,27)(H,25,26)/t16-/m1/s1
InChIKeyLTOPDEUWNTVFHV-MRXNPFEDSA-N
XLogP4.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 86287794) is (2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1-c1ccccc1.
What is the InChIKey of (2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LTOPDEUWNTVFHV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-19(21,22)13-8-9-14(12-5-2-1-3-6-12)15(11-13)23-18(27)24-10-4-7-16(24)17(25)26/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,23,27)(H,25,26)/t16-/m1/s1.
What are the key properties of (2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 378.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 86287794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).