4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C23H26N2O5 — CID 23793007

IUPAC4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC(=O)C1CC(C)(C(=O)O)N(C(=O)Nc2ccc(C)cc2)C1c1cccc(C)c1
InChIInChI=1S/C23H26N2O5/c1-14-8-10-17(11-9-14)24-22(29)25-19(16-7-5-6-15(2)12-16)18(20(26)30-4)13-23(25,3)21(27)28/h5-12,18-19H,13H2,1-4H3,(H,24,29)(H,27,28)
InChIKeyQMJMTIVRZYXLMR-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.91
Rot. Bonds4

About 4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 23793007) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID23793007
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC(=O)C1CC(C)(C(=O)O)N(C(=O)Nc2ccc(C)cc2)C1c1cccc(C)c1
InChIInChI=1S/C23H26N2O5/c1-14-8-10-17(11-9-14)24-22(29)25-19(16-7-5-6-15(2)12-16)18(20(26)30-4)13-23(25,3)21(27)28/h5-12,18-19H,13H2,1-4H3,(H,24,29)(H,27,28)
InChIKeyQMJMTIVRZYXLMR-UHFFFAOYSA-N
XLogP3.91
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 23793007) is 4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is COC(=O)C1CC(C)(C(=O)O)N(C(=O)Nc2ccc(C)cc2)C1c1cccc(C)c1.
What is the InChIKey of 4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QMJMTIVRZYXLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-14-8-10-17(11-9-14)24-22(29)25-19(16-7-5-6-15(2)12-16)18(20(26)30-4)13-23(25,3)21(27)28/h5-12,18-19H,13H2,1-4H3,(H,24,29)(H,27,28).
What are the key properties of 4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 410.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23793007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).