4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid

C32H35NO7 — CID 23965209

IUPAC4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(C(=O)C2C(c3ccc(OC)cc3)C(C(=O)O)N(C(=O)CC(C)C)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H35NO7/c1-19(2)18-26(34)33-29(21-8-14-24(39-4)15-9-21)28(31(35)22-10-16-25(40-5)17-11-22)27(30(33)32(36)37)20-6-12-23(38-3)13-7-20/h6-17,19,27-30H,18H2,1-5H3,(H,36,37)
InChIKeyXSKUNBGDLFYFQI-UHFFFAOYSA-N
MW545.63 g/mol
LogP5.38
Rot. Bonds10

About 4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid

4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 23965209) has the molecular formula C32H35NO7 and a molecular weight of 545.63 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID23965209
Molecular FormulaC32H35NO7
Molecular Weight545.63 g/mol
Exact Mass545.24
IUPAC Name4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(C(=O)C2C(c3ccc(OC)cc3)C(C(=O)O)N(C(=O)CC(C)C)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H35NO7/c1-19(2)18-26(34)33-29(21-8-14-24(39-4)15-9-21)28(31(35)22-10-16-25(40-5)17-11-22)27(30(33)32(36)37)20-6-12-23(38-3)13-7-20/h6-17,19,27-30H,18H2,1-5H3,(H,36,37)
InChIKeyXSKUNBGDLFYFQI-UHFFFAOYSA-N
XLogP5.38
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.63
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzoyl-1-(2-methoxyacetyl)-5-(4-methoxyphenyl)-3-phenylpyrrolidine-2-carboxylic acid
CID 23932091
1-benzoyl-4-(4-methoxybenzoyl)-5-(4-methylphenyl)-3-phenylpyrrolidine-2-carboxylic acid
CID 23903316
4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23822271
4-benzoyl-1-(2-methoxyacetyl)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 23992015
1-[3-benzoyl-2-(4-methylphenyl)-4-(4-nitrophenyl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 23848217
4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide
CID 23933335
(4-methoxyphenyl)-[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]methanone
CID 6562474
5-(4-cyanophenyl)-3-(4-fluorophenyl)-1-(2-methoxyacetyl)-4-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 23967239
4-(4-cyanobenzoyl)-5-(4-cyanophenyl)-3-(3,4-dimethoxyphenyl)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23941301
[(5R,6R,7S)-5-(4-methoxyphenyl)-7-phenyl-1,2,3,5,6,7-hexahydropyrazolo[1,2-a]pyrazol-6-yl]-phenylmethanone
CID 164685632
1-[4-[(1R,2R,3S,4S)-3-(4-methoxybenzoyl)-2-bicyclo[2.2.1]heptanyl]phenyl]ethanone
CID 101136009
2-[(2S,3R)-2-(4-methoxybenzoyl)-3-phenylaziridin-1-yl]isoindole-1,3-dione
CID 134927133

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid (CID 23965209) is 4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid is COc1ccc(C(=O)C2C(c3ccc(OC)cc3)C(C(=O)O)N(C(=O)CC(C)C)C2c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XSKUNBGDLFYFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO7/c1-19(2)18-26(34)33-29(21-8-14-24(39-4)15-9-21)28(31(35)22-10-16-25(40-5)17-11-22)27(30(33)32(36)37)20-6-12-23(38-3)13-7-20/h6-17,19,27-30H,18H2,1-5H3,(H,36,37).
What are the key properties of 4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 545.63 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23965209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).