1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid

C8H10N2O2S — CID 63032380

IUPAC1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2nccs2)C1
InChIInChI=1S/C8H10N2O2S/c11-7(12)6-1-3-10(5-6)8-9-2-4-13-8/h2,4,6H,1,3,5H2,(H,11,12)
InChIKeyCFZQOZREMARZON-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.05
Rot. Bonds2

About 1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid

1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63032380) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID63032380
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2nccs2)C1
InChIInChI=1S/C8H10N2O2S/c11-7(12)6-1-3-10(5-6)8-9-2-4-13-8/h2,4,6H,1,3,5H2,(H,11,12)
InChIKeyCFZQOZREMARZON-UHFFFAOYSA-N
XLogP1.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid (CID 63032380) is 1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2nccs2)C1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is CFZQOZREMARZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-7(12)6-1-3-10(5-6)8-9-2-4-13-8/h2,4,6H,1,3,5H2,(H,11,12).
What are the key properties of 1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid?
1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 198.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).