(2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid

C16H16FNO2S — CID 122038242

IUPAC(2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1ccc(-c2cccc(F)c2)s1
InChIInChI=1S/C16H16FNO2S/c17-12-4-1-3-11(9-12)15-7-6-13(21-15)10-18-8-2-5-14(18)16(19)20/h1,3-4,6-7,9,14H,2,5,8,10H2,(H,19,20)/t14-/m1/s1
InChIKeyXCZHWVJQZZZNDP-CQSZACIVSA-N
MW305.37 g/mol
LogP3.60
Rot. Bonds4

About (2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid

(2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 122038242) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is (2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID122038242
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name(2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1ccc(-c2cccc(F)c2)s1
InChIInChI=1S/C16H16FNO2S/c17-12-4-1-3-11(9-12)15-7-6-13(21-15)10-18-8-2-5-14(18)16(19)20/h1,3-4,6-7,9,14H,2,5,8,10H2,(H,19,20)/t14-/m1/s1
InChIKeyXCZHWVJQZZZNDP-CQSZACIVSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid (CID 122038242) is (2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1Cc1ccc(-c2cccc(F)c2)s1.
What is the InChIKey of (2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XCZHWVJQZZZNDP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-12-4-1-3-11(9-12)15-7-6-13(21-15)10-18-8-2-5-14(18)16(19)20/h1,3-4,6-7,9,14H,2,5,8,10H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122038242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).