(2R)-2-amino-2-thiophen-3-ylpropanoic acid

C7H9NO2S — CID 57268560

IUPAC(2R)-2-amino-2-thiophen-3-ylpropanoic acid
SMILESC[C@](N)(C(=O)O)c1ccsc1
InChIInChI=1S/C7H9NO2S/c1-7(8,6(9)10)5-2-3-11-4-5/h2-4H,8H2,1H3,(H,9,10)/t7-/m1/s1
InChIKeyONTACQLSDXBILH-SSDOTTSWSA-N
MW171.22 g/mol
LogP1.01
Rot. Bonds2

About (2R)-2-amino-2-thiophen-3-ylpropanoic acid

(2R)-2-amino-2-thiophen-3-ylpropanoic acid (PubChem CID 57268560) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (2R)-2-amino-2-thiophen-3-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-thiophen-3-ylpropanoic acid
PubChem CID57268560
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(2R)-2-amino-2-thiophen-3-ylpropanoic acid
SMILESC[C@](N)(C(=O)O)c1ccsc1
InChIInChI=1S/C7H9NO2S/c1-7(8,6(9)10)5-2-3-11-4-5/h2-4H,8H2,1H3,(H,9,10)/t7-/m1/s1
InChIKeyONTACQLSDXBILH-SSDOTTSWSA-N
XLogP1.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-thiophen-3-ylpropanoic acid?
The IUPAC name of (2R)-2-amino-2-thiophen-3-ylpropanoic acid (CID 57268560) is (2R)-2-amino-2-thiophen-3-ylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-2-thiophen-3-ylpropanoic acid?
The canonical SMILES for (2R)-2-amino-2-thiophen-3-ylpropanoic acid is C[C@](N)(C(=O)O)c1ccsc1.
What is the InChIKey of (2R)-2-amino-2-thiophen-3-ylpropanoic acid?
The InChIKey is ONTACQLSDXBILH-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-7(8,6(9)10)5-2-3-11-4-5/h2-4H,8H2,1H3,(H,9,10)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-thiophen-3-ylpropanoic acid?
(2R)-2-amino-2-thiophen-3-ylpropanoic acid has a molecular weight of 171.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-thiophen-3-ylpropanoic acid is sourced from PubChem (CID 57268560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).