(2S)-2-amino-2-thiophen-2-ylacetic acid

C6H7NO2S — CID 736059

IUPAC(2S)-2-amino-2-thiophen-2-ylacetic acid
SMILESN[C@@H](C(=O)O)c1cccs1
InChIInChI=1S/C6H7NO2S/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,7H2,(H,8,9)/t5-/m1/s1
InChIKeyXLMSKXASROPJNG-RXMQYKEDSA-N
MW157.19 g/mol
LogP0.83
Rot. Bonds2

About (2S)-2-amino-2-thiophen-2-ylacetic acid

(2S)-2-amino-2-thiophen-2-ylacetic acid (PubChem CID 736059) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is (2S)-2-amino-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-thiophen-2-ylacetic acid
PubChem CID736059
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name(2S)-2-amino-2-thiophen-2-ylacetic acid
SMILESN[C@@H](C(=O)O)c1cccs1
InChIInChI=1S/C6H7NO2S/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,7H2,(H,8,9)/t5-/m1/s1
InChIKeyXLMSKXASROPJNG-RXMQYKEDSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-thiophen-2-ylacetic acid?
The IUPAC name of (2S)-2-amino-2-thiophen-2-ylacetic acid (CID 736059) is (2S)-2-amino-2-thiophen-2-ylacetic acid.
What is the SMILES notation for (2S)-2-amino-2-thiophen-2-ylacetic acid?
The canonical SMILES for (2S)-2-amino-2-thiophen-2-ylacetic acid is N[C@@H](C(=O)O)c1cccs1.
What is the InChIKey of (2S)-2-amino-2-thiophen-2-ylacetic acid?
The InChIKey is XLMSKXASROPJNG-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7NO2S/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,7H2,(H,8,9)/t5-/m1/s1.
What are the key properties of (2S)-2-amino-2-thiophen-2-ylacetic acid?
(2S)-2-amino-2-thiophen-2-ylacetic acid has a molecular weight of 157.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 736059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).