5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid

C15H20N2O3 — CID 117442644

IUPAC5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
SMILESCN1CC(Oc2ccccc2C2CC(C(=O)O)CN2)C1
InChIInChI=1S/C15H20N2O3/c1-17-8-11(9-17)20-14-5-3-2-4-12(14)13-6-10(7-16-13)15(18)19/h2-5,10-11,13,16H,6-9H2,1H3,(H,18,19)
InChIKeyVSJLDPQQYRATQB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.11
Rot. Bonds4

About 5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid

5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid (PubChem CID 117442644) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
PubChem CID117442644
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
SMILESCN1CC(Oc2ccccc2C2CC(C(=O)O)CN2)C1
InChIInChI=1S/C15H20N2O3/c1-17-8-11(9-17)20-14-5-3-2-4-12(14)13-6-10(7-16-13)15(18)19/h2-5,10-11,13,16H,6-9H2,1H3,(H,18,19)
InChIKeyVSJLDPQQYRATQB-UHFFFAOYSA-N
XLogP1.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1,1-dioxothietan-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
CID 117496211
5-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117467672
5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 117407354
5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117440422
5-[4-(1-methylazetidin-3-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117405334
5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117405342
5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid
CID 117117011
5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117476462
5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid
CID 117368051
5-(2-hydroxy-4,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117421330
5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 117364996
5-(2,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117451340

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid (CID 117442644) is 5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid is CN1CC(Oc2ccccc2C2CC(C(=O)O)CN2)C1.
What is the InChIKey of 5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VSJLDPQQYRATQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17-8-11(9-17)20-14-5-3-2-4-12(14)13-6-10(7-16-13)15(18)19/h2-5,10-11,13,16H,6-9H2,1H3,(H,18,19).
What are the key properties of 5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid?
5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117442644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).