1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C24H32FNO5 — CID 144996205

IUPAC1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCC1CCC(COc2cc(F)c(C(=O)N3CC(O)CC3C(=O)O)cc2C2CC2)C1
InChIInChI=1S/C24H32FNO5/c1-2-3-14-4-5-15(8-14)13-31-22-11-20(25)19(10-18(22)16-6-7-16)23(28)26-12-17(27)9-21(26)24(29)30/h10-11,14-17,21,27H,2-9,12-13H2,1H3,(H,29,30)
InChIKeyUHAKHBFBYSFALK-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.96
Rot. Bonds8

About 1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 144996205) has the molecular formula C24H32FNO5 and a molecular weight of 433.52 g/mol. Its IUPAC name is 1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID144996205
Molecular FormulaC24H32FNO5
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC Name1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCC1CCC(COc2cc(F)c(C(=O)N3CC(O)CC3C(=O)O)cc2C2CC2)C1
InChIInChI=1S/C24H32FNO5/c1-2-3-14-4-5-15(8-14)13-31-22-11-20(25)19(10-18(22)16-6-7-16)23(28)26-12-17(27)9-21(26)24(29)30/h10-11,14-17,21,27H,2-9,12-13H2,1H3,(H,29,30)
InChIKeyUHAKHBFBYSFALK-UHFFFAOYSA-N
XLogP3.96
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-[5-cyclopropyl-4-[(1-ethyl-3-methyl-5-methylidenecyclohexyl)methoxy]-2-fluorobenzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 130192396
(2R,4R)-1-[5-cyclopropyl-4-[(1-ethyl-3-methyl-5-methylidenecyclohexyl)methoxy]-2-fluorobenzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 130192252
1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methylpyrrolidine-2-carboxylic acid
CID 118648998
(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid
CID 118649034
(2S,4R)-1-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid
CID 118653742
1-cyclopropyl-4-fluoro-5-methyl-2-[(3-propylcyclopentyl)methoxy]benzene;formic acid;methanol;pyrrolidine-1-carbaldehyde
CID 144996071
[5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone
CID 144996180
1-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid
CID 138699860
(2S)-1-[4-[3-(3-bicyclo[3.3.1]nonanyl)propoxy]-5-cyclopropyl-2-fluorobenzoyl]azetidine-2-carboxylic acid
CID 135158391
(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4,4-difluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2R,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxypyrrolidine-2-carboxylic acid;(4S)-3-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-1,3-thiazolidine-4-carboxylic acid;methane
CID 161101946
(2S,4R)-1-[5-cyclopropyl-4-[(1-ethyl-3-methyl-5-methylidenecyclohexyl)methoxy]-2-fluorobenzoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 130192239
1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone
CID 123451180

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 144996205) is 1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCCC1CCC(COc2cc(F)c(C(=O)N3CC(O)CC3C(=O)O)cc2C2CC2)C1.
What is the InChIKey of 1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is UHAKHBFBYSFALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO5/c1-2-3-14-4-5-15(8-14)13-31-22-11-20(25)19(10-18(22)16-6-7-16)23(28)26-12-17(27)9-21(26)24(29)30/h10-11,14-17,21,27H,2-9,12-13H2,1H3,(H,29,30).
What are the key properties of 1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 433.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-2-fluoro-4-[(3-propylcyclopentyl)methoxy]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 144996205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).