2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid

C9H9N5O4S — CID 63912512

IUPAC2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C9H9N5O4S/c15-7(12-18-4-8(16)17)3-14-11-9(10-13-14)6-1-2-19-5-6/h1-2,5H,3-4H2,(H,12,15)(H,16,17)
InChIKeyDCDYTEHZXYZMEH-UHFFFAOYSA-N
MW283.27 g/mol
LogP-0.47
Rot. Bonds6

About 2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid

2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid (PubChem CID 63912512) has the molecular formula C9H9N5O4S and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
PubChem CID63912512
Molecular FormulaC9H9N5O4S
Molecular Weight283.27 g/mol
Exact Mass283.04
IUPAC Name2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C9H9N5O4S/c15-7(12-18-4-8(16)17)3-14-11-9(10-13-14)6-1-2-19-5-6/h1-2,5H,3-4H2,(H,12,15)(H,16,17)
InChIKeyDCDYTEHZXYZMEH-UHFFFAOYSA-N
XLogP-0.47
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 43245246
N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide
CID 9128168
3-methyl-4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 81065022
N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050
N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115878438
N-(5-hydroxypentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 107318628
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677564
2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216097

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid (CID 63912512) is 2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid is O=C(O)CONC(=O)Cn1nnc(-c2ccsc2)n1.
What is the InChIKey of 2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid?
The InChIKey is DCDYTEHZXYZMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O4S/c15-7(12-18-4-8(16)17)3-14-11-9(10-13-14)6-1-2-19-5-6/h1-2,5H,3-4H2,(H,12,15)(H,16,17).
What are the key properties of 2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid?
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid has a molecular weight of 283.27 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid is sourced from PubChem (CID 63912512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).