2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride

C8H12ClNO2S — CID 71757422

IUPAC2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride
SMILESCl.NCC(Cc1cccs1)C(=O)O
InChIInChI=1S/C8H11NO2S.ClH/c9-5-6(8(10)11)4-7-2-1-3-12-7;/h1-3,6H,4-5,9H2,(H,10,11);1H
InChIKeyLSJANKRSTVGJAV-UHFFFAOYSA-N
MW221.71 g/mol
LogP1.37
Rot. Bonds4

About 2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride

2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride (PubChem CID 71757422) has the molecular formula C8H12ClNO2S and a molecular weight of 221.71 g/mol. Its IUPAC name is 2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride
PubChem CID71757422
Molecular FormulaC8H12ClNO2S
Molecular Weight221.71 g/mol
Exact Mass221.03
IUPAC Name2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride
SMILESCl.NCC(Cc1cccs1)C(=O)O
InChIInChI=1S/C8H11NO2S.ClH/c9-5-6(8(10)11)4-7-2-1-3-12-7;/h1-3,6H,4-5,9H2,(H,10,11);1H
InChIKeyLSJANKRSTVGJAV-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride (CID 71757422) is 2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride is Cl.NCC(Cc1cccs1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride?
The InChIKey is LSJANKRSTVGJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.ClH/c9-5-6(8(10)11)4-7-2-1-3-12-7;/h1-3,6H,4-5,9H2,(H,10,11);1H.
What are the key properties of 2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride?
2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-thiophen-2-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 71757422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).