4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid

C16H24N2O3 — CID 62889995

IUPAC4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid
SMILESCN(C)CC1CCCN1CCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-17(2)12-14-4-3-9-18(14)10-11-21-15-7-5-13(6-8-15)16(19)20/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyFGFWFGLUFAMVLC-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.79
Rot. Bonds7

About 4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid

4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid (PubChem CID 62889995) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid
PubChem CID62889995
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid
SMILESCN(C)CC1CCCN1CCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-17(2)12-14-4-3-9-18(14)10-11-21-15-7-5-13(6-8-15)16(19)20/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyFGFWFGLUFAMVLC-UHFFFAOYSA-N
XLogP1.79
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic 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-[1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885724
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
4-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]benzoic acid
CID 62332504
1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43442010
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287
2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid
CID 63068600
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136
4-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 20985865
4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid
CID 63630897
1-[2-(4-ethoxyphenoxy)ethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134031605
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid (CID 62889995) is 4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid is CN(C)CC1CCCN1CCOc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid?
The InChIKey is FGFWFGLUFAMVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(2)12-14-4-3-9-18(14)10-11-21-15-7-5-13(6-8-15)16(19)20/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid?
4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid is sourced from PubChem (CID 62889995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).