5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid

C10H11NO5S — CID 106670963

IUPAC5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CC(O)C(O)C2)s1
InChIInChI=1S/C10H11NO5S/c12-5-3-11(4-6(5)13)9(14)7-1-2-8(17-7)10(15)16/h1-2,5-6,12-13H,3-4H2,(H,15,16)
InChIKeyCHXOVOUFSFCION-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.38
Rot. Bonds2

About 5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid

5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid (PubChem CID 106670963) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is 5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
PubChem CID106670963
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC Name5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CC(O)C(O)C2)s1
InChIInChI=1S/C10H11NO5S/c12-5-3-11(4-6(5)13)9(14)7-1-2-8(17-7)10(15)16/h1-2,5-6,12-13H,3-4H2,(H,15,16)
InChIKeyCHXOVOUFSFCION-UHFFFAOYSA-N
XLogP-0.38
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid (CID 106670963) is 5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CC(O)C(O)C2)s1.
What is the InChIKey of 5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is CHXOVOUFSFCION-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S/c12-5-3-11(4-6(5)13)9(14)7-1-2-8(17-7)10(15)16/h1-2,5-6,12-13H,3-4H2,(H,15,16).
What are the key properties of 5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid?
5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 257.27 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 106670963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).