1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid

C15H21NO3 — CID 79370835

IUPAC1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(CCN2CCC(C(=O)O)C2C)cc1
InChIInChI=1S/C15H21NO3/c1-11-14(15(17)18)8-10-16(11)9-7-12-3-5-13(19-2)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyXKBRJQZGERNOEI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.03
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid

1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79370835) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79370835
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(CCN2CCC(C(=O)O)C2C)cc1
InChIInChI=1S/C15H21NO3/c1-11-14(15(17)18)8-10-16(11)9-7-12-3-5-13(19-2)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyXKBRJQZGERNOEI-UHFFFAOYSA-N
XLogP2.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydroxylamine;1-[2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 70097581
(2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124651
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 79370569
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 65446764
2-(4-methoxyphenyl)-1-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 110658153
1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one
CID 54975474
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
CID 166500685
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79370835) is 1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid is COc1ccc(CCN2CCC(C(=O)O)C2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is XKBRJQZGERNOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-14(15(17)18)8-10-16(11)9-7-12-3-5-13(19-2)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79370835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).