2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid

C19H19NO4 — CID 119187127

IUPAC2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid
SMILESCC1CN(C(=O)c2cccc(OCC(=O)O)c2)C1c1ccccc1
InChIInChI=1S/C19H19NO4/c1-13-11-20(18(13)14-6-3-2-4-7-14)19(23)15-8-5-9-16(10-15)24-12-17(21)22/h2-10,13,18H,11-12H2,1H3,(H,21,22)
InChIKeyLGKRQTUOJFJKPU-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.98
Rot. Bonds5

About 2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid

2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid (PubChem CID 119187127) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid
PubChem CID119187127
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid
SMILESCC1CN(C(=O)c2cccc(OCC(=O)O)c2)C1c1ccccc1
InChIInChI=1S/C19H19NO4/c1-13-11-20(18(13)14-6-3-2-4-7-14)19(23)15-8-5-9-16(10-15)24-12-17(21)22/h2-10,13,18H,11-12H2,1H3,(H,21,22)
InChIKeyLGKRQTUOJFJKPU-UHFFFAOYSA-N
XLogP2.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid
CID 119186874
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 120550406
2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid
CID 119186354
2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid
CID 138032586
(2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone
CID 97092730
2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119184827
2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552733
2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119182379
2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 119182165
2-[3-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119186986
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 120550130

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid (CID 119187127) is 2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid is CC1CN(C(=O)c2cccc(OCC(=O)O)c2)C1c1ccccc1.
What is the InChIKey of 2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid?
The InChIKey is LGKRQTUOJFJKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-11-20(18(13)14-6-3-2-4-7-14)19(23)15-8-5-9-16(10-15)24-12-17(21)22/h2-10,13,18H,11-12H2,1H3,(H,21,22).
What are the key properties of 2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid?
2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid has a molecular weight of 325.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid is sourced from PubChem (CID 119187127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).