4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid

C8H11N3O3S — CID 65268350

IUPAC4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nsc(N2CC(O)CC2C(=O)O)n1
InChIInChI=1S/C8H11N3O3S/c1-4-9-8(15-10-4)11-3-5(12)2-6(11)7(13)14/h5-6,12H,2-3H2,1H3,(H,13,14)
InChIKeyPBRWBPDFYRDXQW-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.13
Rot. Bonds2

About 4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid (PubChem CID 65268350) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
PubChem CID65268350
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nsc(N2CC(O)CC2C(=O)O)n1
InChIInChI=1S/C8H11N3O3S/c1-4-9-8(15-10-4)11-3-5(12)2-6(11)7(13)14/h5-6,12H,2-3H2,1H3,(H,13,14)
InChIKeyPBRWBPDFYRDXQW-UHFFFAOYSA-N
XLogP-0.13
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 107304252
4-Hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 107304256
4-Methoxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 107304262
(2R)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122051708
(2S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122059671
2-Methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 65267487
4-Methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 65267540
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65268128
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 65268294
2-Methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 65270638
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 65270691
1-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65272709

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid (CID 65268350) is 4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid is Cc1nsc(N2CC(O)CC2C(=O)O)n1.
What is the InChIKey of 4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is PBRWBPDFYRDXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-4-9-8(15-10-4)11-3-5(12)2-6(11)7(13)14/h5-6,12H,2-3H2,1H3,(H,13,14).
What are the key properties of 4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65268350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).