1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid

C17H24N2O5 — CID 22682335

IUPAC1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1cccc(CN2CC(C(=O)O)CC2=O)c1OCCN(C)C
InChIInChI=1S/C17H24N2O5/c1-18(2)7-8-24-16-12(5-4-6-14(16)23-3)10-19-11-13(17(21)22)9-15(19)20/h4-6,13H,7-11H2,1-3H3,(H,21,22)
InChIKeyQTKCPOIVVVXETK-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.07
Rot. Bonds8

About 1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 22682335) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID22682335
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1cccc(CN2CC(C(=O)O)CC2=O)c1OCCN(C)C
InChIInChI=1S/C17H24N2O5/c1-18(2)7-8-24-16-12(5-4-6-14(16)23-3)10-19-11-13(17(21)22)9-15(19)20/h4-6,13H,7-11H2,1-3H3,(H,21,22)
InChIKeyQTKCPOIVVVXETK-UHFFFAOYSA-N
XLogP1.07
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-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

1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 16641959
1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22683743
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70706140
2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine
CID 77097842
1-[(2,3-dimethoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708609
(6S)-6-benzyl-4-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 137338513
2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
CID 20984632
1-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20989360
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 22682335) is 1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid is COc1cccc(CN2CC(C(=O)O)CC2=O)c1OCCN(C)C.
What is the InChIKey of 1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is QTKCPOIVVVXETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-18(2)7-8-24-16-12(5-4-6-14(16)23-3)10-19-11-13(17(21)22)9-15(19)20/h4-6,13H,7-11H2,1-3H3,(H,21,22).
What are the key properties of 1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 22682335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).