2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid

C15H21NO3 — CID 117017371

IUPAC2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
SMILESCOc1ccccc1N1CCC(CC(=O)O)C1(C)C
InChIInChI=1S/C15H21NO3/c1-15(2)11(10-14(17)18)8-9-16(15)12-6-4-5-7-13(12)19-3/h4-7,11H,8-10H2,1-3H3,(H,17,18)
InChIKeyGAUFEHJOJSLDDP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.77
Rot. Bonds4

About 2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid

2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid (PubChem CID 117017371) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
PubChem CID117017371
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
SMILESCOc1ccccc1N1CCC(CC(=O)O)C1(C)C
InChIInChI=1S/C15H21NO3/c1-15(2)11(10-14(17)18)8-9-16(15)12-6-4-5-7-13(12)19-3/h4-7,11H,8-10H2,1-3H3,(H,17,18)
InChIKeyGAUFEHJOJSLDDP-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic 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

[1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019738
2-[1-(3-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017376
2-[3,3-dimethyl-1-(2-methylphenyl)piperidin-4-yl]acetic acid
CID 117024644
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 115041955
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 119826574
2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017576
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid
CID 110161396

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid (CID 117017371) is 2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid is COc1ccccc1N1CCC(CC(=O)O)C1(C)C.
What is the InChIKey of 2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid?
The InChIKey is GAUFEHJOJSLDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2)11(10-14(17)18)8-9-16(15)12-6-4-5-7-13(12)19-3/h4-7,11H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid?
2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 117017371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).