2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid

C8H10BrNO2S — CID 54595909

IUPAC2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid
SMILESCN(C)C(C(=O)O)c1cc(Br)cs1
InChIInChI=1S/C8H10BrNO2S/c1-10(2)7(8(11)12)6-3-5(9)4-13-6/h3-4,7H,1-2H3,(H,11,12)
InChIKeyYUTKMLHIAVXIEA-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.20
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid

2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid (PubChem CID 54595909) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid
PubChem CID54595909
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid
SMILESCN(C)C(C(=O)O)c1cc(Br)cs1
InChIInChI=1S/C8H10BrNO2S/c1-10(2)7(8(11)12)6-3-5(9)4-13-6/h3-4,7H,1-2H3,(H,11,12)
InChIKeyYUTKMLHIAVXIEA-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate
CID 116914263
N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide
CID 166218784
4-(4-bromothiophen-2-yl)-4-(dimethylamino)-3,3-dimethylbutanoic acid
CID 116908210
(2S)-2-(4-bromothiophen-2-yl)-2-(dimethylamino)-N-(3-ethoxypropyl)acetamide
CID 125419034
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide
CID 116849246
2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid
CID 131031436
3-[1-(4-bromothiophen-2-yl)ethyl-ethylamino]-2-methylpropanoic acid
CID 107355391
1-(4-bromothiophen-2-yl)ethanol
CID 12792392
(2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid
CID 95866465
4-bromo-2-pentan-3-ylthiophene
CID 82390181
amino 2-(4-bromothiophen-2-yl)propanoate
CID 90857194

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid (CID 54595909) is 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid is CN(C)C(C(=O)O)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid?
The InChIKey is YUTKMLHIAVXIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-10(2)7(8(11)12)6-3-5(9)4-13-6/h3-4,7H,1-2H3,(H,11,12).
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid?
2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid has a molecular weight of 264.14 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid is sourced from PubChem (CID 54595909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).