2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid

C15H16N2O3S — CID 116681471

IUPAC2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2sccc2-n2cccc2)C1
InChIInChI=1S/C15H16N2O3S/c1-10(15(19)20)11-8-17(9-11)14(18)13-12(4-7-21-13)16-5-2-3-6-16/h2-7,10-11H,8-9H2,1H3,(H,19,20)
InChIKeyMLFLBMNJFJLRRU-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.33
Rot. Bonds4

About 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid

2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid (PubChem CID 116681471) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
PubChem CID116681471
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2sccc2-n2cccc2)C1
InChIInChI=1S/C15H16N2O3S/c1-10(15(19)20)11-8-17(9-11)14(18)13-12(4-7-21-13)16-5-2-3-6-16/h2-7,10-11H,8-9H2,1H3,(H,19,20)
InChIKeyMLFLBMNJFJLRRU-UHFFFAOYSA-N
XLogP2.33
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 106671096
2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 107224289
(2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713875
N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 24624840
N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 6620143
[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 154773758
cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 154852614
1-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,4-diazepan-5-one
CID 62045906
N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 31302201
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
2-[1-(2-methylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681215

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid (CID 116681471) is 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)c2sccc2-n2cccc2)C1.
What is the InChIKey of 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
The InChIKey is MLFLBMNJFJLRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(15(19)20)11-8-17(9-11)14(18)13-12(4-7-21-13)16-5-2-3-6-16/h2-7,10-11H,8-9H2,1H3,(H,19,20).
What are the key properties of 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid?
2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).