(3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid

C20H24FNO3 — CID 120979900

IUPAC(3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C20H24FNO3/c21-15-7-5-14(6-8-15)20(9-1-2-10-20)19(25)22-11-16(13-3-4-13)17(12-22)18(23)24/h5-8,13,16-17H,1-4,9-12H2,(H,23,24)/t16-,17+/m1/s1
InChIKeyDHMIZNJNLOTZJM-SJORKVTESA-N
MW345.41 g/mol
LogP3.21
Rot. Bonds4

About (3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 120979900) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID120979900
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name(3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C20H24FNO3/c21-15-7-5-14(6-8-15)20(9-1-2-10-20)19(25)22-11-16(13-3-4-13)17(12-22)18(23)24/h5-8,13,16-17H,1-4,9-12H2,(H,23,24)/t16-,17+/m1/s1
InChIKeyDHMIZNJNLOTZJM-SJORKVTESA-N
XLogP3.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid (CID 120979900) is (3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DHMIZNJNLOTZJM-SJORKVTESA-N. The full InChI is InChI=1S/C20H24FNO3/c21-15-7-5-14(6-8-15)20(9-1-2-10-20)19(25)22-11-16(13-3-4-13)17(12-22)18(23)24/h5-8,13,16-17H,1-4,9-12H2,(H,23,24)/t16-,17+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 345.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120979900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).