trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid

C9H9NO3S — CID 69242621

IUPACtrans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H]1C(=O)c1nccs1
InChIInChI=1S/C9H9NO3S/c11-7(8-10-3-4-14-8)5-1-2-6(5)9(12)13/h3-6H,1-2H2,(H,12,13)/t5-,6-/m1/s1
InChIKeyWRVGJBPBJZFKOS-PHDIDXHHSA-N
MW211.24 g/mol
LogP1.44
Rot. Bonds3

About trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid

trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 69242621) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID69242621
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Nametrans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H]1C(=O)c1nccs1
InChIInChI=1S/C9H9NO3S/c11-7(8-10-3-4-14-8)5-1-2-6(5)9(12)13/h3-6H,1-2H2,(H,12,13)/t5-,6-/m1/s1
InChIKeyWRVGJBPBJZFKOS-PHDIDXHHSA-N
XLogP1.44
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid (CID 69242621) is trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H]1C(=O)c1nccs1.
What is the InChIKey of trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is WRVGJBPBJZFKOS-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H9NO3S/c11-7(8-10-3-4-14-8)5-1-2-6(5)9(12)13/h3-6H,1-2H2,(H,12,13)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid?
trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 211.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 69242621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).