4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid

C14H17NO4 — CID 24694266

IUPAC4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccccc2C)C1
InChIInChI=1S/C14H17NO4/c1-9-5-3-4-6-11(9)13(16)15-8-10(19-2)7-12(15)14(17)18/h3-6,10,12H,7-8H2,1-2H3,(H,17,18)
InChIKeyPNIMNUQYNZPBFK-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.31
Rot. Bonds3

About 4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 24694266) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID24694266
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccccc2C)C1
InChIInChI=1S/C14H17NO4/c1-9-5-3-4-6-11(9)13(16)15-8-10(19-2)7-12(15)14(17)18/h3-6,10,12H,7-8H2,1-2H3,(H,17,18)
InChIKeyPNIMNUQYNZPBFK-UHFFFAOYSA-N
XLogP1.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 24694883
4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43172298
1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24690196
4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 24700309
1-(2,6-difluorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24697164
1-(5-chloro-2-iodobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 103932758
1-(1-benzothiophene-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43172308
1-(2,5-dibromothiophene-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 113354325
1-(2-amino-5-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61157060
4-methoxy-1-(3-phenylprop-2-ynoyl)pyrrolidine-2-carboxylic acid
CID 24708728
1-[2-(2-iodophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 120534457
1-[(3-chloro-2-methylphenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61181381

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid (CID 24694266) is 4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2ccccc2C)C1.
What is the InChIKey of 4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PNIMNUQYNZPBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-5-3-4-6-11(9)13(16)15-8-10(19-2)7-12(15)14(17)18/h3-6,10,12H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24694266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).