1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid

C15H21NO3 — CID 65071323

IUPAC1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1C(C)N1CCCC1(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-11(12-7-4-5-8-13(12)19-3)16-10-6-9-15(16,2)14(17)18/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,17,18)
InChIKeyBJCKMYNCXBUTPC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds4

About 1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid

1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 65071323) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID65071323
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1C(C)N1CCCC1(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-11(12-7-4-5-8-13(12)19-3)16-10-6-9-15(16,2)14(17)18/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,17,18)
InChIKeyBJCKMYNCXBUTPC-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-bromophenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071123
1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071128
2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid
CID 65070819
1-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methylpiperidine-2-carboxylic acid
CID 104599079
1-[1-(2,5-difluoro-4-methylphenyl)ethyl]-2-methylpiperidine-2-carboxylic acid
CID 104599257
2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 65071376
2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 65071311
1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979306
1-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-2-carboxylic acid
CID 104599037
(3R)-1-[(3S)-3-(2-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686206
benzhydryl (2S)-2-(2-methoxyphenyl)propanoate
CID 156776599
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid (CID 65071323) is 1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid is COc1ccccc1C(C)N1CCCC1(C)C(=O)O.
What is the InChIKey of 1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is BJCKMYNCXBUTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(12-7-4-5-8-13(12)19-3)16-10-6-9-15(16,2)14(17)18/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65071323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).