2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid

C20H21NO4 — CID 70557001

IUPAC2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCN1C(=O)Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C20H21NO4/c1-20(19(23)24)11-12-21(20)18(22)13-16-9-5-6-10-17(16)25-14-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,23,24)
InChIKeyAHTQRDQFRYHRJY-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.88
Rot. Bonds6

About 2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid

2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid (PubChem CID 70557001) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid
PubChem CID70557001
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCN1C(=O)Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C20H21NO4/c1-20(19(23)24)11-12-21(20)18(22)13-16-9-5-6-10-17(16)25-14-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,23,24)
InChIKeyAHTQRDQFRYHRJY-UHFFFAOYSA-N
XLogP2.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-2-(2-phenylmethoxyphenyl)ethanone
CID 90651853
1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-phenylmethoxyphenyl)ethanone
CID 138381944
1-[2-(4-chlorophenyl)acetyl]-2-methylazetidine-2-carboxylic acid
CID 70559607
1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595397
4-methyl-9-[2-(2-phenylmethoxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 138381768
2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 18456201
3-methyl-1-[2-(2-phenylmethoxyphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 119256206
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665
2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 76746304
1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone
CID 18456376
1-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-2-(2-phenylmethoxyphenyl)ethanone
CID 157011084
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid (CID 70557001) is 2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid is CC1(C(=O)O)CCN1C(=O)Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid?
The InChIKey is AHTQRDQFRYHRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-20(19(23)24)11-12-21(20)18(22)13-16-9-5-6-10-17(16)25-14-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,23,24).
What are the key properties of 2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid?
2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 70557001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).