2-amino-2-(5-methylthiophen-3-yl)propanoic acid

C8H11NO2S — CID 55271187

IUPAC2-amino-2-(5-methylthiophen-3-yl)propanoic acid
SMILESCc1cc(C(C)(N)C(=O)O)cs1
InChIInChI=1S/C8H11NO2S/c1-5-3-6(4-12-5)8(2,9)7(10)11/h3-4H,9H2,1-2H3,(H,10,11)
InChIKeyXMNOIKNHTHXLFO-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.32
Rot. Bonds2

About 2-amino-2-(5-methylthiophen-3-yl)propanoic acid

2-amino-2-(5-methylthiophen-3-yl)propanoic acid (PubChem CID 55271187) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-amino-2-(5-methylthiophen-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(5-methylthiophen-3-yl)propanoic acid
PubChem CID55271187
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-amino-2-(5-methylthiophen-3-yl)propanoic acid
SMILESCc1cc(C(C)(N)C(=O)O)cs1
InChIInChI=1S/C8H11NO2S/c1-5-3-6(4-12-5)8(2,9)7(10)11/h3-4H,9H2,1-2H3,(H,10,11)
InChIKeyXMNOIKNHTHXLFO-UHFFFAOYSA-N
XLogP1.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-methylthiophen-3-yl)propanoic acid?
The IUPAC name of 2-amino-2-(5-methylthiophen-3-yl)propanoic acid (CID 55271187) is 2-amino-2-(5-methylthiophen-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-(5-methylthiophen-3-yl)propanoic acid?
The canonical SMILES for 2-amino-2-(5-methylthiophen-3-yl)propanoic acid is Cc1cc(C(C)(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-(5-methylthiophen-3-yl)propanoic acid?
The InChIKey is XMNOIKNHTHXLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-5-3-6(4-12-5)8(2,9)7(10)11/h3-4H,9H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-2-(5-methylthiophen-3-yl)propanoic acid?
2-amino-2-(5-methylthiophen-3-yl)propanoic acid has a molecular weight of 185.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-methylthiophen-3-yl)propanoic acid is sourced from PubChem (CID 55271187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).