1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid

C15H21NO3 — CID 79372147

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C)cc1CN1CCC(C(=O)O)C1C
InChIInChI=1S/C15H21NO3/c1-10-4-5-14(19-3)12(8-10)9-16-7-6-13(11(16)2)15(17)18/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyYYEHTXJWOFTIRM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.30
Rot. Bonds4

About 1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid

1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79372147) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79372147
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C)cc1CN1CCC(C(=O)O)C1C
InChIInChI=1S/C15H21NO3/c1-10-4-5-14(19-3)12(8-10)9-16-7-6-13(11(16)2)15(17)18/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyYYEHTXJWOFTIRM-UHFFFAOYSA-N
XLogP2.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79372147) is 1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid is COc1ccc(C)cc1CN1CCC(C(=O)O)C1C.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is YYEHTXJWOFTIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-4-5-14(19-3)12(8-10)9-16-7-6-13(11(16)2)15(17)18/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79372147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).