(2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid

C10H8O4S — CID 135362190

IUPAC(2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid
SMILESO=C(O)[C@@H]1C2[C@@H](C(=O)O)C21c1cccs1
InChIInChI=1S/C10H8O4S/c11-8(12)6-5-7(9(13)14)10(5,6)4-2-1-3-15-4/h1-3,5-7H,(H,11,12)(H,13,14)/t5?,6-,7-,10?/m0/s1
InChIKeyDAVYDXIEJSXQMN-HTYJUZMNSA-N
MW224.24 g/mol
LogP1.03
Rot. Bonds3

About (2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid

(2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid (PubChem CID 135362190) has the molecular formula C10H8O4S and a molecular weight of 224.24 g/mol. Its IUPAC name is (2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid
PubChem CID135362190
Molecular FormulaC10H8O4S
Molecular Weight224.24 g/mol
Exact Mass224.01
IUPAC Name(2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid
SMILESO=C(O)[C@@H]1C2[C@@H](C(=O)O)C21c1cccs1
InChIInChI=1S/C10H8O4S/c11-8(12)6-5-7(9(13)14)10(5,6)4-2-1-3-15-4/h1-3,5-7H,(H,11,12)(H,13,14)/t5?,6-,7-,10?/m0/s1
InChIKeyDAVYDXIEJSXQMN-HTYJUZMNSA-N
XLogP1.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Thien-2-ylcyclobutanecarboxylic acid
CID 23294887
3-(2-Thienyl)pentanedioic acid
CID 21770061
rac-(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 51888158
2-Methyl-1-(thiophen-2-yl)cyclopropane-1-carboxylic acid
CID 83482602
rac-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 93299386
3-Methyl-5-(2-thienyl)valeric acid
CID 10488191
2-Thiophen-2-ylpentanedioic acid
CID 91044619
(3S)-3-(5-methylthiophen-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165404979
(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405295
(3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 166025284
(3S)-3-(5-methylthiophen-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid;sulfane
CID 167691176
3-(5-Methylthiophen-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 169694151

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid?
The IUPAC name of (2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid (CID 135362190) is (2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid is O=C(O)[C@@H]1C2[C@@H](C(=O)O)C21c1cccs1.
What is the InChIKey of (2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid?
The InChIKey is DAVYDXIEJSXQMN-HTYJUZMNSA-N. The full InChI is InChI=1S/C10H8O4S/c11-8(12)6-5-7(9(13)14)10(5,6)4-2-1-3-15-4/h1-3,5-7H,(H,11,12)(H,13,14)/t5?,6-,7-,10?/m0/s1.
What are the key properties of (2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid?
(2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid is sourced from PubChem (CID 135362190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).