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

C10H11N3O3S2 — CID 61141211

IUPAC(2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCc1cc(=O)n2ccsc2n1)C(=O)O
InChIInChI=1S/C10H11N3O3S2/c11-7(9(15)16)5-17-4-6-3-8(14)13-1-2-18-10(13)12-6/h1-3,7H,4-5,11H2,(H,15,16)/t7-/m0/s1
InChIKeyFAUHPRAEUQORQG-ZETCQYMHSA-N
MW285.35 g/mol
LogP0.40
Rot. Bonds5

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

(2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid (PubChem CID 61141211) has the molecular formula C10H11N3O3S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid
PubChem CID61141211
Molecular FormulaC10H11N3O3S2
Molecular Weight285.35 g/mol
Exact Mass285.02
IUPAC Name(2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCc1cc(=O)n2ccsc2n1)C(=O)O
InChIInChI=1S/C10H11N3O3S2/c11-7(9(15)16)5-17-4-6-3-8(14)13-1-2-18-10(13)12-6/h1-3,7H,4-5,11H2,(H,15,16)/t7-/m0/s1
InChIKeyFAUHPRAEUQORQG-ZETCQYMHSA-N
XLogP0.40
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid (CID 61141211) is (2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid is N[C@@H](CSCc1cc(=O)n2ccsc2n1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid?
The InChIKey is FAUHPRAEUQORQG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11N3O3S2/c11-7(9(15)16)5-17-4-6-3-8(14)13-1-2-18-10(13)12-6/h1-3,7H,4-5,11H2,(H,15,16)/t7-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid?
(2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid has a molecular weight of 285.35 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 61141211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).