2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid

C12H15NO4S — CID 102657658

IUPAC2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCc1cscc1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C12H15NO4S/c1-8-4-18-5-9(8)11(16)13-6-12(2,7-13)17-3-10(14)15/h4-5H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyCYUIDNBDNBBQKV-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.37
Rot. Bonds4

About 2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102657658) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid
PubChem CID102657658
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCc1cscc1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C12H15NO4S/c1-8-4-18-5-9(8)11(16)13-6-12(2,7-13)17-3-10(14)15/h4-5H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyCYUIDNBDNBBQKV-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-3-methylazetidin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79808707
2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102801376
2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657522
2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 79802681
2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 114102920
2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657196
2-[1-(4-bromobenzoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657591
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657276
3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 79803046
2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 103117253
2-[1-[2-(4-hydroxyphenyl)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657616
2-[3-methyl-1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]azetidin-3-yl]oxyacetic acid
CID 102657412

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid (CID 102657658) is 2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid is Cc1cscc1C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is CYUIDNBDNBBQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-8-4-18-5-9(8)11(16)13-6-12(2,7-13)17-3-10(14)15/h4-5H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 269.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).