2-amino-2-(5-methylthiophen-2-yl)acetic acid

C7H9NO2S — CID 581054

IUPAC2-amino-2-(5-methylthiophen-2-yl)acetic acid
SMILESCc1ccc(C(N)C(=O)O)s1
InChIInChI=1S/C7H9NO2S/c1-4-2-3-5(11-4)6(8)7(9)10/h2-3,6H,8H2,1H3,(H,9,10)
InChIKeyHLZZCZZBTRRPPH-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.14
Rot. Bonds2

About 2-amino-2-(5-methylthiophen-2-yl)acetic acid

2-amino-2-(5-methylthiophen-2-yl)acetic acid (PubChem CID 581054) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-amino-2-(5-methylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-methylthiophen-2-yl)acetic acid
PubChem CID581054
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-amino-2-(5-methylthiophen-2-yl)acetic acid
SMILESCc1ccc(C(N)C(=O)O)s1
InChIInChI=1S/C7H9NO2S/c1-4-2-3-5(11-4)6(8)7(9)10/h2-3,6H,8H2,1H3,(H,9,10)
InChIKeyHLZZCZZBTRRPPH-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-methylthiophen-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-methylthiophen-2-yl)acetic acid (CID 581054) is 2-amino-2-(5-methylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-methylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-methylthiophen-2-yl)acetic acid is Cc1ccc(C(N)C(=O)O)s1.
What is the InChIKey of 2-amino-2-(5-methylthiophen-2-yl)acetic acid?
The InChIKey is HLZZCZZBTRRPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-4-2-3-5(11-4)6(8)7(9)10/h2-3,6H,8H2,1H3,(H,9,10).
What are the key properties of 2-amino-2-(5-methylthiophen-2-yl)acetic acid?
2-amino-2-(5-methylthiophen-2-yl)acetic acid has a molecular weight of 171.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-methylthiophen-2-yl)acetic acid is sourced from PubChem (CID 581054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).