3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid

C11H15NO2S — CID 131000852

IUPAC3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid
SMILESCC(c1cccs1)N1CC(C)(C(=O)O)C1
InChIInChI=1S/C11H15NO2S/c1-8(9-4-3-5-15-9)12-6-11(2,7-12)10(13)14/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKeyWCWZMGWOMYXIBE-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.22
Rot. Bonds3

About 3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid

3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid (PubChem CID 131000852) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid
PubChem CID131000852
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid
SMILESCC(c1cccs1)N1CC(C)(C(=O)O)C1
InChIInChI=1S/C11H15NO2S/c1-8(9-4-3-5-15-9)12-6-11(2,7-12)10(13)14/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKeyWCWZMGWOMYXIBE-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid
CID 96927128
1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064495
3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
CID 65068908
1,3,5-tris(1-thiophen-2-ylethyl)-1,3,5-triazinane
CID 68714918
1-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984782
(3R)-3-methyl-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124693497
3-methyl-1-(2-methyl-3-thiophen-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119257607
3-methyl-1-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064030
3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 65068572
tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate
CID 71633459
3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 65069204
1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836256

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid (CID 131000852) is 3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid is CC(c1cccs1)N1CC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid?
The InChIKey is WCWZMGWOMYXIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(9-4-3-5-15-9)12-6-11(2,7-12)10(13)14/h3-5,8H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid?
3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 131000852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).