(2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid

C15H17F2NO3 — CID 94967170

IUPAC(2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCCc1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2NO3/c16-11-7-6-10(9-12(11)17)3-1-5-14(19)18-8-2-4-13(18)15(20)21/h6-7,9,13H,1-5,8H2,(H,20,21)/t13-/m1/s1
InChIKeyJXAYFFMUPZPPOP-CYBMUJFWSA-N
MW297.30 g/mol
LogP2.36
Rot. Bonds5

About (2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 94967170) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is (2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
PubChem CID94967170
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name(2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCCc1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2NO3/c16-11-7-6-10(9-12(11)17)3-1-5-14(19)18-8-2-4-13(18)15(20)21/h6-7,9,13H,1-5,8H2,(H,20,21)/t13-/m1/s1
InChIKeyJXAYFFMUPZPPOP-CYBMUJFWSA-N
XLogP2.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid (CID 94967170) is (2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)CCCc1ccc(F)c(F)c1.
What is the InChIKey of (2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JXAYFFMUPZPPOP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-11-7-6-10(9-12(11)17)3-1-5-14(19)18-8-2-4-13(18)15(20)21/h6-7,9,13H,1-5,8H2,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 297.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 94967170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).