2-(thiophene-2-carbonylamino)acetic acid

C7H7NO3S — CID 679227

IUPAC2-(thiophene-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1cccs1
InChIInChI=1S/C7H7NO3S/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
InChIKeyNXTJGIBOVGESBV-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.56
Rot. Bonds3

About 2-(thiophene-2-carbonylamino)acetic acid

2-(thiophene-2-carbonylamino)acetic acid (PubChem CID 679227) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-(thiophene-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(thiophene-2-carbonylamino)acetic acid
PubChem CID679227
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name2-(thiophene-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1cccs1
InChIInChI=1S/C7H7NO3S/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
InChIKeyNXTJGIBOVGESBV-UHFFFAOYSA-N
XLogP0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-2-carbonylamino)acetic acid?
The IUPAC name of 2-(thiophene-2-carbonylamino)acetic acid (CID 679227) is 2-(thiophene-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-(thiophene-2-carbonylamino)acetic acid?
The canonical SMILES for 2-(thiophene-2-carbonylamino)acetic acid is O=C(O)CNC(=O)c1cccs1.
What is the InChIKey of 2-(thiophene-2-carbonylamino)acetic acid?
The InChIKey is NXTJGIBOVGESBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10).
What are the key properties of 2-(thiophene-2-carbonylamino)acetic acid?
2-(thiophene-2-carbonylamino)acetic acid has a molecular weight of 185.20 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-2-carbonylamino)acetic acid is sourced from PubChem (CID 679227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).