1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid

C15H21NO3 — CID 65071128

IUPAC1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCOc1ccc(C(C)N2CCCC2(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-11(12-5-7-13(19-3)8-6-12)16-10-4-9-15(16,2)14(17)18/h5-8,11H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyHCMHXXYNXAHEHI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid

1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 65071128) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID65071128
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCOc1ccc(C(C)N2CCCC2(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-11(12-5-7-13(19-3)8-6-12)16-10-4-9-15(16,2)14(17)18/h5-8,11H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyHCMHXXYNXAHEHI-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid (CID 65071128) is 1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid is COc1ccc(C(C)N2CCCC2(C)C(=O)O)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is HCMHXXYNXAHEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(12-5-7-13(19-3)8-6-12)16-10-4-9-15(16,2)14(17)18/h5-8,11H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[1-(4-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-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65071128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).