2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride

C7H9BrClNO2S — CID 126812238

IUPAC2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride
SMILESCNC(C(=O)O)c1ccc(Br)s1.Cl
InChIInChI=1S/C7H8BrNO2S.ClH/c1-9-6(7(10)11)4-2-3-5(8)12-4;/h2-3,6,9H,1H3,(H,10,11);1H
InChIKeyOQYPXJAYRCSHDM-UHFFFAOYSA-N
MW286.58 g/mol
LogP2.28
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride

2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride (PubChem CID 126812238) has the molecular formula C7H9BrClNO2S and a molecular weight of 286.58 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride
PubChem CID126812238
Molecular FormulaC7H9BrClNO2S
Molecular Weight286.58 g/mol
Exact Mass284.92
IUPAC Name2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride
SMILESCNC(C(=O)O)c1ccc(Br)s1.Cl
InChIInChI=1S/C7H8BrNO2S.ClH/c1-9-6(7(10)11)4-2-3-5(8)12-4;/h2-3,6,9H,1H3,(H,10,11);1H
InChIKeyOQYPXJAYRCSHDM-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.58
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride (CID 126812238) is 2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride is CNC(C(=O)O)c1ccc(Br)s1.Cl.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride?
The InChIKey is OQYPXJAYRCSHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S.ClH/c1-9-6(7(10)11)4-2-3-5(8)12-4;/h2-3,6,9H,1H3,(H,10,11);1H.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride?
2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride has a molecular weight of 286.58 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid;hydrochloride is sourced from PubChem (CID 126812238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).