3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid

C9H13N3O3S — CID 106108352

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid
SMILESCOC(CNc1nc(C2CC2)ns1)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-15-6(8(13)14)4-10-9-11-7(12-16-9)5-2-3-5/h5-6H,2-4H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyVSCDTIKTZFZOGK-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.93
Rot. Bonds6

About 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid (PubChem CID 106108352) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid
PubChem CID106108352
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid
SMILESCOC(CNc1nc(C2CC2)ns1)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-15-6(8(13)14)4-10-9-11-7(12-16-9)5-2-3-5/h5-6H,2-4H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyVSCDTIKTZFZOGK-UHFFFAOYSA-N
XLogP0.93
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid (CID 106108352) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid is COC(CNc1nc(C2CC2)ns1)C(=O)O.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid?
The InChIKey is VSCDTIKTZFZOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-15-6(8(13)14)4-10-9-11-7(12-16-9)5-2-3-5/h5-6H,2-4H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid has a molecular weight of 243.29 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).