2-amino-3-thiophen-2-ylsulfanylpropanoic acid

C7H9NO2S2 — CID 4059960

IUPAC2-amino-3-thiophen-2-ylsulfanylpropanoic acid
SMILESNC(CSc1cccs1)C(=O)O
InChIInChI=1S/C7H9NO2S2/c8-5(7(9)10)4-12-6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)
InChIKeyXRPOWEFAFQZLRI-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.25
Rot. Bonds4

About 2-amino-3-thiophen-2-ylsulfanylpropanoic acid

2-amino-3-thiophen-2-ylsulfanylpropanoic acid (PubChem CID 4059960) has the molecular formula C7H9NO2S2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-amino-3-thiophen-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-thiophen-2-ylsulfanylpropanoic acid
PubChem CID4059960
Molecular FormulaC7H9NO2S2
Molecular Weight203.29 g/mol
Exact Mass203.01
IUPAC Name2-amino-3-thiophen-2-ylsulfanylpropanoic acid
SMILESNC(CSc1cccs1)C(=O)O
InChIInChI=1S/C7H9NO2S2/c8-5(7(9)10)4-12-6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)
InChIKeyXRPOWEFAFQZLRI-UHFFFAOYSA-N
XLogP1.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-thiophen-2-ylsulfanylpropanoic acid?
The IUPAC name of 2-amino-3-thiophen-2-ylsulfanylpropanoic acid (CID 4059960) is 2-amino-3-thiophen-2-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-amino-3-thiophen-2-ylsulfanylpropanoic acid?
The canonical SMILES for 2-amino-3-thiophen-2-ylsulfanylpropanoic acid is NC(CSc1cccs1)C(=O)O.
What is the InChIKey of 2-amino-3-thiophen-2-ylsulfanylpropanoic acid?
The InChIKey is XRPOWEFAFQZLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S2/c8-5(7(9)10)4-12-6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10).
What are the key properties of 2-amino-3-thiophen-2-ylsulfanylpropanoic acid?
2-amino-3-thiophen-2-ylsulfanylpropanoic acid has a molecular weight of 203.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-thiophen-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 4059960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).