2-(thiophen-2-ylamino)acetic acid

C6H7NO2S — CID 21071957

IUPAC2-(thiophen-2-ylamino)acetic acid
SMILESO=C(O)CNc1cccs1
InChIInChI=1S/C6H7NO2S/c8-6(9)4-7-5-2-1-3-10-5/h1-3,7H,4H2,(H,8,9)
InChIKeyUNQHGXLQKSZYQU-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.24
Rot. Bonds3

About 2-(thiophen-2-ylamino)acetic acid

2-(thiophen-2-ylamino)acetic acid (PubChem CID 21071957) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-(thiophen-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(thiophen-2-ylamino)acetic acid
PubChem CID21071957
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2-(thiophen-2-ylamino)acetic acid
SMILESO=C(O)CNc1cccs1
InChIInChI=1S/C6H7NO2S/c8-6(9)4-7-5-2-1-3-10-5/h1-3,7H,4H2,(H,8,9)
InChIKeyUNQHGXLQKSZYQU-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylamino)acetic acid?
The IUPAC name of 2-(thiophen-2-ylamino)acetic acid (CID 21071957) is 2-(thiophen-2-ylamino)acetic acid.
What is the SMILES notation for 2-(thiophen-2-ylamino)acetic acid?
The canonical SMILES for 2-(thiophen-2-ylamino)acetic acid is O=C(O)CNc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylamino)acetic acid?
The InChIKey is UNQHGXLQKSZYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c8-6(9)4-7-5-2-1-3-10-5/h1-3,7H,4H2,(H,8,9).
What are the key properties of 2-(thiophen-2-ylamino)acetic acid?
2-(thiophen-2-ylamino)acetic acid has a molecular weight of 157.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylamino)acetic acid is sourced from PubChem (CID 21071957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).