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

C13H13N3O4S — CID 43360368

IUPAC2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cnc2sccn2c1=O)(C(=O)O)C1CC1
InChIInChI=1S/C13H13N3O4S/c1-13(11(19)20,7-2-3-7)15-9(17)8-6-14-12-16(10(8)18)4-5-21-12/h4-7H,2-3H2,1H3,(H,15,17)(H,19,20)
InChIKeyAKPBNNYIGRPDNR-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.74
Rot. Bonds4

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

2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (PubChem CID 43360368) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
PubChem CID43360368
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cnc2sccn2c1=O)(C(=O)O)C1CC1
InChIInChI=1S/C13H13N3O4S/c1-13(11(19)20,7-2-3-7)15-9(17)8-6-14-12-16(10(8)18)4-5-21-12/h4-7H,2-3H2,1H3,(H,15,17)(H,19,20)
InChIKeyAKPBNNYIGRPDNR-UHFFFAOYSA-N
XLogP0.74
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (CID 43360368) is 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is CC(NC(=O)c1cnc2sccn2c1=O)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The InChIKey is AKPBNNYIGRPDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-13(11(19)20,7-2-3-7)15-9(17)8-6-14-12-16(10(8)18)4-5-21-12/h4-7H,2-3H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid has a molecular weight of 307.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43360368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).