2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid

C11H15NO2S — CID 64618528

IUPAC2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CCc2ccsc2)C1
InChIInChI=1S/C11H15NO2S/c13-11(14)5-10-6-12(7-10)3-1-9-2-4-15-8-9/h2,4,8,10H,1,3,5-7H2,(H,13,14)
InChIKeyAOPAZHXESMFWKB-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.70
Rot. Bonds5

About 2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid

2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid (PubChem CID 64618528) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid
PubChem CID64618528
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CCc2ccsc2)C1
InChIInChI=1S/C11H15NO2S/c13-11(14)5-10-6-12(7-10)3-1-9-2-4-15-8-9/h2,4,8,10H,1,3,5-7H2,(H,13,14)
InChIKeyAOPAZHXESMFWKB-UHFFFAOYSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 61474548
4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 114351436
methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate
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3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
CID 127001246
1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine
CID 66194837
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
4-chloro-1-(2-thiophen-3-ylethyl)azepane
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6-thiophen-3-ylhexanoic acid
CID 24722734
2-[1-(thiophen-3-ylmethyl)-2,3-dihydroindol-3-yl]acetic acid
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N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976875
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine
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2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid
CID 64618110

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid (CID 64618528) is 2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(CCc2ccsc2)C1.
What is the InChIKey of 2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid?
The InChIKey is AOPAZHXESMFWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(14)5-10-6-12(7-10)3-1-9-2-4-15-8-9/h2,4,8,10H,1,3,5-7H2,(H,13,14).
What are the key properties of 2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid?
2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid has a molecular weight of 225.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).