2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid

C11H10N2O4S2 — CID 80733577

IUPAC2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1cc2sccc2s1
InChIInChI=1S/C11H10N2O4S2/c14-9(12-5-10(15)16)4-13-11(17)8-3-7-6(19-8)1-2-18-7/h1-3H,4-5H2,(H,12,14)(H,13,17)(H,15,16)
InChIKeyYMJSTYRFQWWWEK-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.89
Rot. Bonds5

About 2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid

2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid (PubChem CID 80733577) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
PubChem CID80733577
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1cc2sccc2s1
InChIInChI=1S/C11H10N2O4S2/c14-9(12-5-10(15)16)4-13-11(17)8-3-7-6(19-8)1-2-18-7/h1-3H,4-5H2,(H,12,14)(H,13,17)(H,15,16)
InChIKeyYMJSTYRFQWWWEK-UHFFFAOYSA-N
XLogP0.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid (CID 80733577) is 2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)c1cc2sccc2s1.
What is the InChIKey of 2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid?
The InChIKey is YMJSTYRFQWWWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c14-9(12-5-10(15)16)4-13-11(17)8-3-7-6(19-8)1-2-18-7/h1-3H,4-5H2,(H,12,14)(H,13,17)(H,15,16).
What are the key properties of 2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid?
2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid has a molecular weight of 298.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 80733577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).