(2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid

C17H22FN3O3 — CID 119913818

IUPAC(2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H22FN3O3/c18-13-4-1-2-5-14(13)19-8-10-20(11-9-19)16(22)12-21-7-3-6-15(21)17(23)24/h1-2,4-5,15H,3,6-12H2,(H,23,24)/t15-/m1/s1
InChIKeyASEKXPYZFSLIQT-OAHLLOKOSA-N
MW335.38 g/mol
LogP1.02
Rot. Bonds4

About (2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119913818) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is (2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID119913818
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name(2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H22FN3O3/c18-13-4-1-2-5-14(13)19-8-10-20(11-9-19)16(22)12-21-7-3-6-15(21)17(23)24/h1-2,4-5,15H,3,6-12H2,(H,23,24)/t15-/m1/s1
InChIKeyASEKXPYZFSLIQT-OAHLLOKOSA-N
XLogP1.02
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 119913818) is (2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1CC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ASEKXPYZFSLIQT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-13-4-1-2-5-14(13)19-8-10-20(11-9-19)16(22)12-21-7-3-6-15(21)17(23)24/h1-2,4-5,15H,3,6-12H2,(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 335.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119913818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).