2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid

C10H11Br2NO2S — CID 102843185

IUPAC2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(c1cc(Br)c(Br)s1)N1CCCC1
InChIInChI=1S/C10H11Br2NO2S/c11-6-5-7(16-9(6)12)8(10(14)15)13-3-1-2-4-13/h5,8H,1-4H2,(H,14,15)
InChIKeyYFZHNEUXHJFQQQ-UHFFFAOYSA-N
MW369.08 g/mol
LogP3.49
Rot. Bonds3

About 2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid

2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid (PubChem CID 102843185) has the molecular formula C10H11Br2NO2S and a molecular weight of 369.08 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid
PubChem CID102843185
Molecular FormulaC10H11Br2NO2S
Molecular Weight369.08 g/mol
Exact Mass366.89
IUPAC Name2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(c1cc(Br)c(Br)s1)N1CCCC1
InChIInChI=1S/C10H11Br2NO2S/c11-6-5-7(16-9(6)12)8(10(14)15)13-3-1-2-4-13/h5,8H,1-4H2,(H,14,15)
InChIKeyYFZHNEUXHJFQQQ-UHFFFAOYSA-N
XLogP3.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.08
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic 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

2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone
CID 102844193
ethyl 3-(4,5-dibromothiophen-2-yl)-3-piperidin-1-ylpropanoate
CID 102844868
2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 102838136
3-(4,5-dibromothiophen-2-yl)-3-morpholin-4-ylpropanoic acid
CID 102844841
2-(azepan-1-yl)-2-(2-bromo-5-chlorophenyl)acetic acid
CID 66157283
2-(2-bromo-5-chlorophenyl)-2-piperidin-1-ylacetic acid
CID 66157085
2-(azepan-1-yl)-2-(3-bromo-4-fluorophenyl)acetic acid
CID 54914626
2-(azepan-1-yl)-2-(5-nitrothiophen-2-yl)acetic acid
CID 84748689
2-(4,5-dibromothiophen-2-yl)-2-(prop-2-ynylamino)acetic acid
CID 102841028
2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid
CID 54595982
2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid
CID 106531817
3-(4-bromo-5-methylthiophen-2-yl)-3-piperidin-1-ylpropanoic acid
CID 102844853

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid (CID 102843185) is 2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid is O=C(O)C(c1cc(Br)c(Br)s1)N1CCCC1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid?
The InChIKey is YFZHNEUXHJFQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2S/c11-6-5-7(16-9(6)12)8(10(14)15)13-3-1-2-4-13/h5,8H,1-4H2,(H,14,15).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid?
2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid has a molecular weight of 369.08 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid is sourced from PubChem (CID 102843185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).