2-(2-amino-3H-thiophen-2-yl)acetic acid

C6H9NO2S — CID 21331019

IUPAC2-(2-amino-3H-thiophen-2-yl)acetic acid
SMILESNC1(CC(=O)O)CC=CS1
InChIInChI=1S/C6H9NO2S/c7-6(4-5(8)9)2-1-3-10-6/h1,3H,2,4,7H2,(H,8,9)
InChIKeyABYWVRGHZWLPOL-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.77
Rot. Bonds2

About 2-(2-amino-3H-thiophen-2-yl)acetic acid

2-(2-amino-3H-thiophen-2-yl)acetic acid (PubChem CID 21331019) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-(2-amino-3H-thiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-3H-thiophen-2-yl)acetic acid
PubChem CID21331019
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name2-(2-amino-3H-thiophen-2-yl)acetic acid
SMILESNC1(CC(=O)O)CC=CS1
InChIInChI=1S/C6H9NO2S/c7-6(4-5(8)9)2-1-3-10-6/h1,3H,2,4,7H2,(H,8,9)
InChIKeyABYWVRGHZWLPOL-UHFFFAOYSA-N
XLogP0.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3H-thiophen-2-yl)acetic acid?
The IUPAC name of 2-(2-amino-3H-thiophen-2-yl)acetic acid (CID 21331019) is 2-(2-amino-3H-thiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-3H-thiophen-2-yl)acetic acid?
The canonical SMILES for 2-(2-amino-3H-thiophen-2-yl)acetic acid is NC1(CC(=O)O)CC=CS1.
What is the InChIKey of 2-(2-amino-3H-thiophen-2-yl)acetic acid?
The InChIKey is ABYWVRGHZWLPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c7-6(4-5(8)9)2-1-3-10-6/h1,3H,2,4,7H2,(H,8,9).
What are the key properties of 2-(2-amino-3H-thiophen-2-yl)acetic acid?
2-(2-amino-3H-thiophen-2-yl)acetic acid has a molecular weight of 159.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3H-thiophen-2-yl)acetic acid is sourced from PubChem (CID 21331019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).