trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid

C8H7BrO2S — CID 118432889

IUPACtrans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1csc(Br)c1
InChIInChI=1S/C8H7BrO2S/c9-7-1-4(3-12-7)5-2-6(5)8(10)11/h1,3,5-6H,2H2,(H,10,11)/t5-,6+/m0/s1
InChIKeyWPMXSYQGUFJOPQ-NTSWFWBYSA-N
MW247.11 g/mol
LogP2.70
Rot. Bonds2

About trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 118432889) has the molecular formula C8H7BrO2S and a molecular weight of 247.11 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid
PubChem CID118432889
Molecular FormulaC8H7BrO2S
Molecular Weight247.11 g/mol
Exact Mass245.94
IUPAC Nametrans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1csc(Br)c1
InChIInChI=1S/C8H7BrO2S/c9-7-1-4(3-12-7)5-2-6(5)8(10)11/h1,3,5-6H,2H2,(H,10,11)/t5-,6+/m0/s1
InChIKeyWPMXSYQGUFJOPQ-NTSWFWBYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-Dibromothiophen-3-yl)propanoic acid
CID 818919
4-(Thiophen-3-yl)butanoic acid
CID 11041143
rac-(1R,2R)-2-(thiophen-3-yl)cyclopropane-1-carboxylic acid
CID 15141058
3-(2-Bromothiophen-3-yl)propanoic acid
CID 22733385
3-(5-Bromothiophen-3-yl)propanoic acid
CID 82663530
5-(5-Bromo-2-fluorothiophen-3-yl)-2-ethylpentanoic acid
CID 68418496
5-(5-Bromo-2-fluorothiophen-3-yl)heptanoic acid
CID 68418499
4-(2,5-Dibromothiophen-3-yl)-4,4-difluorobutanoic acid
CID 43167435
3-(5-Bromothiophen-3-yl)-4,4-difluorobutanoic acid
CID 165690337
3-(5-Bromothiophen-3-yl)-2,2-difluoropropanoic acid
CID 165832386
3-(5-Bromothiophen-3-yl)-3,3-difluoropropanoic acid
CID 165836289
2-[(2-Bromothiophen-3-yl)methyl]butanedioate
CID 145921919

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid (CID 118432889) is trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1csc(Br)c1.
What is the InChIKey of trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is WPMXSYQGUFJOPQ-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H7BrO2S/c9-7-1-4(3-12-7)5-2-6(5)8(10)11/h1,3,5-6H,2H2,(H,10,11)/t5-,6+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 247.11 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 118432889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).