2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid

C11H12N4O3S — CID 54945682

IUPAC2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1cc(=O)n2ncsc2n1)C1CC1
InChIInChI=1S/C11H12N4O3S/c16-9-3-7(13-11-15(9)12-6-19-11)4-14(5-10(17)18)8-1-2-8/h3,6,8H,1-2,4-5H2,(H,17,18)
InChIKeyUOSILTNQOGUMSD-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.20
Rot. Bonds5

About 2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid

2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (PubChem CID 54945682) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
PubChem CID54945682
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1cc(=O)n2ncsc2n1)C1CC1
InChIInChI=1S/C11H12N4O3S/c16-9-3-7(13-11-15(9)12-6-19-11)4-14(5-10(17)18)8-1-2-8/h3,6,8H,1-2,4-5H2,(H,17,18)
InChIKeyUOSILTNQOGUMSD-UHFFFAOYSA-N
XLogP0.20
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (CID 54945682) is 2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is O=C(O)CN(Cc1cc(=O)n2ncsc2n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The InChIKey is UOSILTNQOGUMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c16-9-3-7(13-11-15(9)12-6-19-11)4-14(5-10(17)18)8-1-2-8/h3,6,8H,1-2,4-5H2,(H,17,18).
What are the key properties of 2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid has a molecular weight of 280.31 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is sourced from PubChem (CID 54945682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).