5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

C14H13NO3S — CID 21331536

IUPAC5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESCc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)s1
InChIInChI=1S/C14H13NO3S/c1-8-2-5-12(19-8)13(16)11-4-3-10-9(14(17)18)6-7-15(10)11/h2-5,9H,6-7H2,1H3,(H,17,18)
InChIKeyMJZOIWGYLLMPGF-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.66
Rot. Bonds3

About 5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (PubChem CID 21331536) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
PubChem CID21331536
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESCc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)s1
InChIInChI=1S/C14H13NO3S/c1-8-2-5-12(19-8)13(16)11-4-3-10-9(14(17)18)6-7-15(10)11/h2-5,9H,6-7H2,1H3,(H,17,18)
InChIKeyMJZOIWGYLLMPGF-UHFFFAOYSA-N
XLogP2.66
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ketorolac
CID 3826
(+)-Ketorolac
CID 181818
(-)-Ketorolac
CID 181817
5-(4-acetylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487061
5-(4-Fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 12915914
5-(2-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487031
5-(3-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487033
5-p-toluoyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid
CID 13487034
5-(3-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487035
5-[4-(Methylsulfanyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487050
5-(4-methylsulfinylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487051
5-(4-methylsulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487052

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The IUPAC name of 5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CID 21331536) is 5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.
What is the SMILES notation for 5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The canonical SMILES for 5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is Cc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)s1.
What is the InChIKey of 5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The InChIKey is MJZOIWGYLLMPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-8-2-5-12(19-8)13(16)11-4-3-10-9(14(17)18)6-7-15(10)11/h2-5,9H,6-7H2,1H3,(H,17,18).
What are the key properties of 5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is sourced from PubChem (CID 21331536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).