2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride

C7H10ClNO2S — CID 50944369

IUPAC2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride
SMILESCNC(C(=O)O)c1cccs1.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-8-6(7(9)10)5-3-2-4-11-5;/h2-4,6,8H,1H3,(H,9,10);1H
InChIKeyFTZQHWYLRWFTTP-UHFFFAOYSA-N
MW207.68 g/mol
LogP1.51
Rot. Bonds3

About 2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride

2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride (PubChem CID 50944369) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride
PubChem CID50944369
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride
SMILESCNC(C(=O)O)c1cccs1.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-8-6(7(9)10)5-3-2-4-11-5;/h2-4,6,8H,1H3,(H,9,10);1H
InChIKeyFTZQHWYLRWFTTP-UHFFFAOYSA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride?
The IUPAC name of 2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride (CID 50944369) is 2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride?
The canonical SMILES for 2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride is CNC(C(=O)O)c1cccs1.Cl.
What is the InChIKey of 2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride?
The InChIKey is FTZQHWYLRWFTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.ClH/c1-8-6(7(9)10)5-3-2-4-11-5;/h2-4,6,8H,1H3,(H,9,10);1H.
What are the key properties of 2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride?
2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride has a molecular weight of 207.68 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-thiophen-2-ylacetic acid;hydrochloride is sourced from PubChem (CID 50944369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).