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

C9H13N3O3S — CID 65267540

IUPAC4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2nc(C)ns2)C1
InChIInChI=1S/C9H13N3O3S/c1-5-10-9(16-11-5)12-4-6(15-2)3-7(12)8(13)14/h6-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyAAUGCTPTCHKWBN-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.52
Rot. Bonds3

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

4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid (PubChem CID 65267540) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
PubChem CID65267540
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2nc(C)ns2)C1
InChIInChI=1S/C9H13N3O3S/c1-5-10-9(16-11-5)12-4-6(15-2)3-7(12)8(13)14/h6-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyAAUGCTPTCHKWBN-UHFFFAOYSA-N
XLogP0.52
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 122059671
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CID 142097682
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CID 65267487
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CID 65268128
CID 65268128
CID 65268294
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CID 65268350
CID 65268350

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid (CID 65267540) is 4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(c2nc(C)ns2)C1.
What is the InChIKey of 4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is AAUGCTPTCHKWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-5-10-9(16-11-5)12-4-6(15-2)3-7(12)8(13)14/h6-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 243.29 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65267540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).