(3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

C17H20FNO3 — CID 70763651

IUPAC(3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H20FNO3/c18-13-7-5-11(6-8-13)14-9-19(10-15(14)17(21)22)16(20)12-3-1-2-4-12/h5-8,12,14-15H,1-4,9-10H2,(H,21,22)/t14-,15+/m0/s1
InChIKeyUPWWOSXMTDZRDN-LSDHHAIUSA-N
MW305.35 g/mol
LogP2.64
Rot. Bonds3

About (3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

(3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 70763651) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is (3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID70763651
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name(3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H20FNO3/c18-13-7-5-11(6-8-13)14-9-19(10-15(14)17(21)22)16(20)12-3-1-2-4-12/h5-8,12,14-15H,1-4,9-10H2,(H,21,22)/t14-,15+/m0/s1
InChIKeyUPWWOSXMTDZRDN-LSDHHAIUSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mitiglinide
CID 121891
2-Oxo-4-phenylpyrrolidine-3-carboxylic acid
CID 2836868
1-[2-(4-Fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 3159590
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid
CID 3047758
1-Cyclohexyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 3745249
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid
CID 762603
(3S,4R)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 2762094
(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 44828612
(+-)-trans-N-Boc-4-phenylpyrrolidine-3-carboxylic acid
CID 45925968
rac-(3R,4R)-1,4-dibenzylpyrrolidine-3-carboxylic acid
CID 57900573
(3S,4R)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
CID 155387694
rac-(3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
CID 165907879

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (CID 70763651) is (3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UPWWOSXMTDZRDN-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H20FNO3/c18-13-7-5-11(6-8-13)14-9-19(10-15(14)17(21)22)16(20)12-3-1-2-4-12/h5-8,12,14-15H,1-4,9-10H2,(H,21,22)/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
(3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70763651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).