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

C7H9NO2S — CID 7111750

IUPAC(2R)-2-amino-3-thiophen-2-ylpropanoic acid
SMILESN[C@H](Cc1cccs1)C(=O)O
InChIInChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1
InChIKeyWTOFYLAWDLQMBZ-ZCFIWIBFSA-N
MW171.22 g/mol
LogP0.70
Rot. Bonds3

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

(2R)-2-amino-3-thiophen-2-ylpropanoic acid (PubChem CID 7111750) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (2R)-2-amino-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-thiophen-2-ylpropanoic acid
PubChem CID7111750
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(2R)-2-amino-3-thiophen-2-ylpropanoic acid
SMILESN[C@H](Cc1cccs1)C(=O)O
InChIInChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1
InChIKeyWTOFYLAWDLQMBZ-ZCFIWIBFSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-thiophen-2-ylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-thiophen-2-ylpropanoic acid (CID 7111750) is (2R)-2-amino-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-thiophen-2-ylpropanoic acid is N[C@H](Cc1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-thiophen-2-ylpropanoic acid?
The InChIKey is WTOFYLAWDLQMBZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-thiophen-2-ylpropanoic acid?
(2R)-2-amino-3-thiophen-2-ylpropanoic acid has a molecular weight of 171.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 7111750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).