4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid

C15H19NO4 — CID 24694883

IUPAC4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)Cc2ccccc2C)C1
InChIInChI=1S/C15H19NO4/c1-10-5-3-4-6-11(10)7-14(17)16-9-12(20-2)8-13(16)15(18)19/h3-6,12-13H,7-9H2,1-2H3,(H,18,19)
InChIKeyPXRCNSNQLIHQFQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.24
Rot. Bonds4

About 4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid

4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 24694883) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID24694883
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)Cc2ccccc2C)C1
InChIInChI=1S/C15H19NO4/c1-10-5-3-4-6-11(10)7-14(17)16-9-12(20-2)8-13(16)15(18)19/h3-6,12-13H,7-9H2,1-2H3,(H,18,19)
InChIKeyPXRCNSNQLIHQFQ-UHFFFAOYSA-N
XLogP1.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-iodophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 120534457
4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 24694266
1-[2-(2,4-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43172327
4-methoxy-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 62364996
4-methoxy-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 122108321
ethyl 1-[2-(2,6-dimethylphenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate
CID 21469631
4-methoxy-1-(3-phenylprop-2-ynoyl)pyrrolidine-2-carboxylic acid
CID 24708728
4-methoxy-1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 43359751
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359724
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 106742049
1-(2,6-difluorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24697164

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid (CID 24694883) is 4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)Cc2ccccc2C)C1.
What is the InChIKey of 4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PXRCNSNQLIHQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-5-3-4-6-11(10)7-14(17)16-9-12(20-2)8-13(16)15(18)19/h3-6,12-13H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid?
4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24694883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).