3-amino-3-thiophen-3-ylpropanoic acid

C7H9NO2S — CID 2764410

IUPAC3-amino-3-thiophen-3-ylpropanoic acid
SMILESNC(CC(=O)O)c1ccsc1
InChIInChI=1S/C7H9NO2S/c8-6(3-7(9)10)5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)
InChIKeyUPDVATYZQLTZOZ-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.22
Rot. Bonds3

About 3-amino-3-thiophen-3-ylpropanoic acid

3-amino-3-thiophen-3-ylpropanoic acid (PubChem CID 2764410) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-amino-3-thiophen-3-ylpropanoic acid.

Molecular Properties

Compound Name3-amino-3-thiophen-3-ylpropanoic acid
PubChem CID2764410
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name3-amino-3-thiophen-3-ylpropanoic acid
SMILESNC(CC(=O)O)c1ccsc1
InChIInChI=1S/C7H9NO2S/c8-6(3-7(9)10)5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)
InChIKeyUPDVATYZQLTZOZ-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-thiophen-3-ylpropanoic acid?
The IUPAC name of 3-amino-3-thiophen-3-ylpropanoic acid (CID 2764410) is 3-amino-3-thiophen-3-ylpropanoic acid.
What is the SMILES notation for 3-amino-3-thiophen-3-ylpropanoic acid?
The canonical SMILES for 3-amino-3-thiophen-3-ylpropanoic acid is NC(CC(=O)O)c1ccsc1.
What is the InChIKey of 3-amino-3-thiophen-3-ylpropanoic acid?
The InChIKey is UPDVATYZQLTZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c8-6(3-7(9)10)5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10).
What are the key properties of 3-amino-3-thiophen-3-ylpropanoic acid?
3-amino-3-thiophen-3-ylpropanoic acid has a molecular weight of 171.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-thiophen-3-ylpropanoic acid is sourced from PubChem (CID 2764410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).