2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid

C12H15NO3S — CID 116681533

IUPAC2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
SMILESCc1ccc(C(=O)N2CC(C(C)C(=O)O)C2)s1
InChIInChI=1S/C12H15NO3S/c1-7-3-4-10(17-7)11(14)13-5-9(6-13)8(2)12(15)16/h3-4,8-9H,5-6H2,1-2H3,(H,15,16)
InChIKeyQEAHISGWLJUIAR-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.85
Rot. Bonds3

About 2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid

2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid (PubChem CID 116681533) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
PubChem CID116681533
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
SMILESCc1ccc(C(=O)N2CC(C(C)C(=O)O)C2)s1
InChIInChI=1S/C12H15NO3S/c1-7-3-4-10(17-7)11(14)13-5-9(6-13)8(2)12(15)16/h3-4,8-9H,5-6H2,1-2H3,(H,15,16)
InChIKeyQEAHISGWLJUIAR-UHFFFAOYSA-N
XLogP1.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681485
2-[1-(2-methylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681215
[(3aS,4S,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-methylthiophen-2-yl)methanone
CID 170558636
1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918252
(4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 67965088
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
[(3aS,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-methylthiophen-2-yl)methanone
CID 99777594
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 119100037

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid (CID 116681533) is 2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid is Cc1ccc(C(=O)N2CC(C(C)C(=O)O)C2)s1.
What is the InChIKey of 2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
The InChIKey is QEAHISGWLJUIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-7-3-4-10(17-7)11(14)13-5-9(6-13)8(2)12(15)16/h3-4,8-9H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid has a molecular weight of 253.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).