3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid

C11H11N3O4S — CID 55021501

IUPAC3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c1-13(3-2-8(15)16)9(17)7-6-12-11-14(10(7)18)4-5-19-11/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeySHMNRAUHQWJQHA-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.30
Rot. Bonds4

About 3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid

3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (PubChem CID 55021501) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
PubChem CID55021501
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c1-13(3-2-8(15)16)9(17)7-6-12-11-14(10(7)18)4-5-19-11/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeySHMNRAUHQWJQHA-UHFFFAOYSA-N
XLogP0.30
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (CID 55021501) is 3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of 3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The InChIKey is SHMNRAUHQWJQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-13(3-2-8(15)16)9(17)7-6-12-11-14(10(7)18)4-5-19-11/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid has a molecular weight of 281.29 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 55021501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).