(2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid

C12H18FNO3 — CID 68542642

IUPAC(2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](F)CN1C(=O)CC1CCCC1
InChIInChI=1S/C12H18FNO3/c13-9-6-10(12(16)17)14(7-9)11(15)5-8-3-1-2-4-8/h8-10H,1-7H2,(H,16,17)/t9-,10+/m1/s1
InChIKeyWAWIPFSEWGHSQY-ZJUUUORDSA-N
MW243.28 g/mol
LogP1.59
Rot. Bonds3

About (2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid

(2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid (PubChem CID 68542642) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is (2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid
PubChem CID68542642
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Name(2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](F)CN1C(=O)CC1CCCC1
InChIInChI=1S/C12H18FNO3/c13-9-6-10(12(16)17)14(7-9)11(15)5-8-3-1-2-4-8/h8-10H,1-7H2,(H,16,17)/t9-,10+/m1/s1
InChIKeyWAWIPFSEWGHSQY-ZJUUUORDSA-N
XLogP1.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid (CID 68542642) is (2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)CC1CCCC1.
What is the InChIKey of (2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid?
The InChIKey is WAWIPFSEWGHSQY-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H18FNO3/c13-9-6-10(12(16)17)14(7-9)11(15)5-8-3-1-2-4-8/h8-10H,1-7H2,(H,16,17)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid?
(2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid has a molecular weight of 243.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-cyclopentylacetyl)-4-fluoropyrrolidine-2-carboxylic acid is sourced from PubChem (CID 68542642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).