1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid

C24H26FNO4 — CID 46213193

IUPAC1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(C1CCCC1)N1CCC(COc2ccc(-c3ccc(F)cc3)cc2)(C(=O)O)C1
InChIInChI=1S/C24H26FNO4/c25-20-9-5-17(6-10-20)18-7-11-21(12-8-18)30-16-24(23(28)29)13-14-26(15-24)22(27)19-3-1-2-4-19/h5-12,19H,1-4,13-16H2,(H,28,29)
InChIKeyCVMYYWJTHNCXFE-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.36
Rot. Bonds6

About 1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid

1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 46213193) has the molecular formula C24H26FNO4 and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid
PubChem CID46213193
Molecular FormulaC24H26FNO4
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(C1CCCC1)N1CCC(COc2ccc(-c3ccc(F)cc3)cc2)(C(=O)O)C1
InChIInChI=1S/C24H26FNO4/c25-20-9-5-17(6-10-20)18-7-11-21(12-8-18)30-16-24(23(28)29)13-14-26(15-24)22(27)19-3-1-2-4-19/h5-12,19H,1-4,13-16H2,(H,28,29)
InChIKeyCVMYYWJTHNCXFE-UHFFFAOYSA-N
XLogP4.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid
CID 46213192
1-(4-chlorobenzoyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid
CID 46213255
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 171687669
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 134005471
4-[(4-fluorophenoxy)methyl]oxane-4-carboxylic acid
CID 97033966
ethyl 3-[[4-(4-fluorophenyl)phenoxy]methyl]-1-(4-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322219
1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid
CID 82132012
cyclohexyl-[(3R)-3-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]methanone
CID 134374259
1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid
CID 82134215
ethyl (3R)-1-(cyclopentanecarbonyl)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853755
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
3-[[6-(4-chlorophenyl)-3-pyridinyl]oxymethyl]-1-(2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 67406290

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid (CID 46213193) is 1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid is O=C(C1CCCC1)N1CCC(COc2ccc(-c3ccc(F)cc3)cc2)(C(=O)O)C1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CVMYYWJTHNCXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO4/c25-20-9-5-17(6-10-20)18-7-11-21(12-8-18)30-16-24(23(28)29)13-14-26(15-24)22(27)19-3-1-2-4-19/h5-12,19H,1-4,13-16H2,(H,28,29).
What are the key properties of 1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid?
1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 411.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 46213193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).