2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid

C11H15NO2S — CID 116684210

IUPAC2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(Cc2ccsc2)C1
InChIInChI=1S/C11H15NO2S/c1-8(11(13)14)10-5-12(6-10)4-9-2-3-15-7-9/h2-3,7-8,10H,4-6H2,1H3,(H,13,14)
InChIKeyAZWLIWROOIDAGM-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.90
Rot. Bonds4

About 2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid

2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid (PubChem CID 116684210) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid
PubChem CID116684210
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(Cc2ccsc2)C1
InChIInChI=1S/C11H15NO2S/c1-8(11(13)14)10-5-12(6-10)4-9-2-3-15-7-9/h2-3,7-8,10H,4-6H2,1H3,(H,13,14)
InChIKeyAZWLIWROOIDAGM-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 156606607
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684643
(3S,5R)-5-methyl-1-(thiophen-3-ylmethyl)piperidin-3-ol
CID 131084735
4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 79200562
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
9-propan-2-yl-2-(thiophen-3-ylmethyl)-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 131658515
2-[1-[(4-pyrazol-1-ylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116683944
2-[1-(furan-2-ylmethyl)azetidin-3-yl]propanoic acid
CID 116683796
2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid
CID 105379685
[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
2-[1-[(2,4-dimethylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684546

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid (CID 116684210) is 2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(Cc2ccsc2)C1.
What is the InChIKey of 2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid?
The InChIKey is AZWLIWROOIDAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(11(13)14)10-5-12(6-10)4-9-2-3-15-7-9/h2-3,7-8,10H,4-6H2,1H3,(H,13,14).
What are the key properties of 2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid?
2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid has a molecular weight of 225.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).