3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid

C13H15N3O3S — CID 60839534

IUPAC3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid
SMILESO=C(O)CCN(Cc1cc(=O)n2ccsc2n1)C1CC1
InChIInChI=1S/C13H15N3O3S/c17-11-7-9(14-13-16(11)5-6-20-13)8-15(10-1-2-10)4-3-12(18)19/h5-7,10H,1-4,8H2,(H,18,19)
InChIKeyBDLUDYOIZOXUFQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.20
Rot. Bonds6

About 3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid

3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid (PubChem CID 60839534) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid
PubChem CID60839534
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid
SMILESO=C(O)CCN(Cc1cc(=O)n2ccsc2n1)C1CC1
InChIInChI=1S/C13H15N3O3S/c17-11-7-9(14-13-16(11)5-6-20-13)8-15(10-1-2-10)4-3-12(18)19/h5-7,10H,1-4,8H2,(H,18,19)
InChIKeyBDLUDYOIZOXUFQ-UHFFFAOYSA-N
XLogP1.20
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid (CID 60839534) is 3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid is O=C(O)CCN(Cc1cc(=O)n2ccsc2n1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid?
The InChIKey is BDLUDYOIZOXUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-11-7-9(14-13-16(11)5-6-20-13)8-15(10-1-2-10)4-3-12(18)19/h5-7,10H,1-4,8H2,(H,18,19).
What are the key properties of 3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid?
3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid has a molecular weight of 293.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 60839534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).