2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid

C10H11N5O4S — CID 79457635

IUPAC2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C10H11N5O4S/c16-8(17)5-19-3-2-11-10(18)9-7(1-4-20-9)15-6-12-13-14-15/h1,4,6H,2-3,5H2,(H,11,18)(H,16,17)
InChIKeyVTMVMMIMJKCCPC-UHFFFAOYSA-N
MW297.30 g/mol
LogP-0.45
Rot. Bonds7

About 2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid

2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid (PubChem CID 79457635) has the molecular formula C10H11N5O4S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
PubChem CID79457635
Molecular FormulaC10H11N5O4S
Molecular Weight297.30 g/mol
Exact Mass297.05
IUPAC Name2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C10H11N5O4S/c16-8(17)5-19-3-2-11-10(18)9-7(1-4-20-9)15-6-12-13-14-15/h1,4,6H,2-3,5H2,(H,11,18)(H,16,17)
InChIKeyVTMVMMIMJKCCPC-UHFFFAOYSA-N
XLogP-0.45
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid (CID 79457635) is 2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)c1sccc1-n1cnnn1.
What is the InChIKey of 2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid?
The InChIKey is VTMVMMIMJKCCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S/c16-8(17)5-19-3-2-11-10(18)9-7(1-4-20-9)15-6-12-13-14-15/h1,4,6H,2-3,5H2,(H,11,18)(H,16,17).
What are the key properties of 2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid?
2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid has a molecular weight of 297.30 g/mol, XLogP of -0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79457635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).