(2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid

C20H19FN2O4 — CID 90423212

IUPAC(2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCC[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)CC(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C20H19FN2O4/c1-2-20(19(26)27)16(13-8-10-15(21)11-9-13)12-17(24)23(20)22-18(25)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,22,25)(H,26,27)/t16-,20+/m0/s1
InChIKeyGHLZUIRLSHTYGQ-OXJNMPFZSA-N
MW370.38 g/mol
LogP2.72
Rot. Bonds5

About (2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid

(2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 90423212) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is (2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID90423212
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name(2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCC[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)CC(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C20H19FN2O4/c1-2-20(19(26)27)16(13-8-10-15(21)11-9-13)12-17(24)23(20)22-18(25)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,22,25)(H,26,27)/t16-,20+/m0/s1
InChIKeyGHLZUIRLSHTYGQ-OXJNMPFZSA-N
XLogP2.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid (CID 90423212) is (2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid is CC[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)CC(=O)N1NC(=O)c1ccccc1.
What is the InChIKey of (2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is GHLZUIRLSHTYGQ-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-2-20(19(26)27)16(13-8-10-15(21)11-9-13)12-17(24)23(20)22-18(25)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,22,25)(H,26,27)/t16-,20+/m0/s1.
What are the key properties of (2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
(2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 370.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-benzamido-2-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90423212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).