3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid

C10H11NO3S — CID 63640194

IUPAC3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CN1CCCC1=O
InChIInChI=1S/C10H11NO3S/c12-8-2-1-4-11(8)6-7-3-5-15-9(7)10(13)14/h3,5H,1-2,4,6H2,(H,13,14)
InChIKeyKOUUKSBOTLQCJD-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.57
Rot. Bonds3

About 3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid

3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 63640194) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID63640194
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CN1CCCC1=O
InChIInChI=1S/C10H11NO3S/c12-8-2-1-4-11(8)6-7-3-5-15-9(7)10(13)14/h3,5H,1-2,4,6H2,(H,13,14)
InChIKeyKOUUKSBOTLQCJD-UHFFFAOYSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid (CID 63640194) is 3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1CN1CCCC1=O.
What is the InChIKey of 3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is KOUUKSBOTLQCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-8-2-1-4-11(8)6-7-3-5-15-9(7)10(13)14/h3,5H,1-2,4,6H2,(H,13,14).
What are the key properties of 3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63640194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).