1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid

C19H25NO6 — CID 120534462

IUPAC1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CC(OC)CC2C(=O)O)cc1OC1CCCC1
InChIInChI=1S/C19H25NO6/c1-24-14-10-15(19(22)23)20(11-14)18(21)12-7-8-16(25-2)17(9-12)26-13-5-3-4-6-13/h7-9,13-15H,3-6,10-11H2,1-2H3,(H,22,23)
InChIKeyLFIXQXRNVTUCSS-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.33
Rot. Bonds6

About 1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 120534462) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID120534462
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CC(OC)CC2C(=O)O)cc1OC1CCCC1
InChIInChI=1S/C19H25NO6/c1-24-14-10-15(19(22)23)20(11-14)18(21)12-7-8-16(25-2)17(9-12)26-13-5-3-4-6-13/h7-9,13-15H,3-6,10-11H2,1-2H3,(H,22,23)
InChIKeyLFIXQXRNVTUCSS-UHFFFAOYSA-N
XLogP2.33
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-1-(3,4-dimethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30073924
(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 128984241
(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983612
(2S,4S)-1-(3-bromo-4-methoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714587
1-(3,5-dichlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43099378
1-(3,5-dibromobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 107971197
(3S,4S)-1-(4-cyclopentyloxy-3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953526
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359705
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone
CID 124686970
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 120534462) is 1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid is COc1ccc(C(=O)N2CC(OC)CC2C(=O)O)cc1OC1CCCC1.
What is the InChIKey of 1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is LFIXQXRNVTUCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-24-14-10-15(19(22)23)20(11-14)18(21)12-7-8-16(25-2)17(9-12)26-13-5-3-4-6-13/h7-9,13-15H,3-6,10-11H2,1-2H3,(H,22,23).
What are the key properties of 1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 363.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120534462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).