2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid

C19H22N2O3 — CID 167821181

IUPAC2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCC(Nc2ccccc2)C1
InChIInChI=1S/C19H22N2O3/c22-19(23)17-8-4-5-9-18(17)24-13-12-21-11-10-16(14-21)20-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2,(H,22,23)
InChIKeyOSOPXLCFCGSVKC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.95
Rot. Bonds7

About 2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid

2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid (PubChem CID 167821181) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid
PubChem CID167821181
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCC(Nc2ccccc2)C1
InChIInChI=1S/C19H22N2O3/c22-19(23)17-8-4-5-9-18(17)24-13-12-21-11-10-16(14-21)20-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2,(H,22,23)
InChIKeyOSOPXLCFCGSVKC-UHFFFAOYSA-N
XLogP2.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(cyclohexanecarbonylamino)piperidin-1-yl]ethoxy]benzoic acid
CID 126785814
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63608700
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
2-[2-(2-methylthiomorpholin-4-yl)ethoxy]benzoic acid
CID 113498440
2-(2-thiomorpholin-4-ylethoxy)benzoic acid
CID 43532595
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate
CID 146418738
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831
N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469462
2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide
CID 102555895
1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905906

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid (CID 167821181) is 2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid is O=C(O)c1ccccc1OCCN1CCC(Nc2ccccc2)C1.
What is the InChIKey of 2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid?
The InChIKey is OSOPXLCFCGSVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(23)17-8-4-5-9-18(17)24-13-12-21-11-10-16(14-21)20-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2,(H,22,23).
What are the key properties of 2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid?
2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid has a molecular weight of 326.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 167821181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).