2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid

C12H15NO3 — CID 79695787

IUPAC2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid
SMILESCC1CCN1c1cccc(OCC(=O)O)c1
InChIInChI=1S/C12H15NO3/c1-9-5-6-13(9)10-3-2-4-11(7-10)16-8-12(14)15/h2-4,7,9H,5-6,8H2,1H3,(H,14,15)
InChIKeyZZJHHSJTMQODJS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.75
Rot. Bonds4

About 2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid

2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid (PubChem CID 79695787) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid
PubChem CID79695787
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid
SMILESCC1CCN1c1cccc(OCC(=O)O)c1
InChIInChI=1S/C12H15NO3/c1-9-5-6-13(9)10-3-2-4-11(7-10)16-8-12(14)15/h2-4,7,9H,5-6,8H2,1H3,(H,14,15)
InChIKeyZZJHHSJTMQODJS-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid
CID 103499601
2-[3-(3-tert-butylazetidin-1-yl)phenoxy]acetic acid
CID 79694734
2-[3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]acetic acid
CID 63266368
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
CID 61186973
2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid
CID 119186874
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 16769713
2-[3-(3-methyl-1,2,4-triazol-4-yl)phenoxy]acetic acid
CID 82513162
2-(3-chlorosulfanylphenoxy)acetic acid
CID 19384692
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 120550130
2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid
CID 22399413
chloromethane;2-phenoxyacetic acid
CID 157255542
2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119182217

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid (CID 79695787) is 2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid is CC1CCN1c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid?
The InChIKey is ZZJHHSJTMQODJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-5-6-13(9)10-3-2-4-11(7-10)16-8-12(14)15/h2-4,7,9H,5-6,8H2,1H3,(H,14,15).
What are the key properties of 2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid?
2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid is sourced from PubChem (CID 79695787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).