2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride

C7H10ClNO2S — CID 74764505

IUPAC2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride
SMILESCl.NC(Cc1ccsc1)C(=O)O
InChIInChI=1S/C7H9NO2S.ClH/c8-6(7(9)10)3-5-1-2-11-4-5;/h1-2,4,6H,3,8H2,(H,9,10);1H
InChIKeyVWVKLOOCZNQENR-UHFFFAOYSA-N
MW207.68 g/mol
LogP1.12
Rot. Bonds3

About 2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride

2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride (PubChem CID 74764505) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride
PubChem CID74764505
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride
SMILESCl.NC(Cc1ccsc1)C(=O)O
InChIInChI=1S/C7H9NO2S.ClH/c8-6(7(9)10)3-5-1-2-11-4-5;/h1-2,4,6H,3,8H2,(H,9,10);1H
InChIKeyVWVKLOOCZNQENR-UHFFFAOYSA-N
XLogP1.12
TPSA63.32 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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride (CID 74764505) is 2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride is Cl.NC(Cc1ccsc1)C(=O)O.
What is the InChIKey of 2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride?
The InChIKey is VWVKLOOCZNQENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.ClH/c8-6(7(9)10)3-5-1-2-11-4-5;/h1-2,4,6H,3,8H2,(H,9,10);1H.
What are the key properties of 2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride?
2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride has a molecular weight of 207.68 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-thiophen-3-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 74764505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).