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

C22H22FNO4 — CID 46213192

IUPAC1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(C1CC1)N1CCC(COc2ccc(-c3ccc(F)cc3)cc2)(C(=O)O)C1
InChIInChI=1S/C22H22FNO4/c23-18-7-3-15(4-8-18)16-5-9-19(10-6-16)28-14-22(21(26)27)11-12-24(13-22)20(25)17-1-2-17/h3-10,17H,1-2,11-14H2,(H,26,27)
InChIKeyVIYDZJJHDULRJG-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.58
Rot. Bonds6

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

1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 46213192) has the molecular formula C22H22FNO4 and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid
PubChem CID46213192
Molecular FormulaC22H22FNO4
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(C1CC1)N1CCC(COc2ccc(-c3ccc(F)cc3)cc2)(C(=O)O)C1
InChIInChI=1S/C22H22FNO4/c23-18-7-3-15(4-8-18)16-5-9-19(10-6-16)28-14-22(21(26)27)11-12-24(13-22)20(25)17-1-2-17/h3-10,17H,1-2,11-14H2,(H,26,27)
InChIKeyVIYDZJJHDULRJG-UHFFFAOYSA-N
XLogP3.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid
CID 46213193
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
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
3-[[6-(4-chlorophenyl)-3-pyridinyl]oxymethyl]-1-(2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 67406290
3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 63148518
3-[[4-(4-ethynylphenyl)phenoxy]methyl]-1-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 167273460
1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid
CID 82132012
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 134005471
1-[2-(4-fluorophenoxy)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146320
1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid
CID 82134215

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid (CID 46213192) is 1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid is O=C(C1CC1)N1CCC(COc2ccc(-c3ccc(F)cc3)cc2)(C(=O)O)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VIYDZJJHDULRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO4/c23-18-7-3-15(4-8-18)16-5-9-19(10-6-16)28-14-22(21(26)27)11-12-24(13-22)20(25)17-1-2-17/h3-10,17H,1-2,11-14H2,(H,26,27).
What are the key properties of 1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid?
1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 383.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 46213192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).