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

C9H9N5O3S — CID 43354422

IUPAC2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C9H9N5O3S/c15-7(10-4-8(16)17)5-14-12-9(11-13-14)6-2-1-3-18-6/h1-3H,4-5H2,(H,10,15)(H,16,17)
InChIKeyGANYHLQFVLLHCU-UHFFFAOYSA-N
MW267.27 g/mol
LogP-0.40
Rot. Bonds5

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

2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid (PubChem CID 43354422) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
PubChem CID43354422
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC Name2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C9H9N5O3S/c15-7(10-4-8(16)17)5-14-12-9(11-13-14)6-2-1-3-18-6/h1-3H,4-5H2,(H,10,15)(H,16,17)
InChIKeyGANYHLQFVLLHCU-UHFFFAOYSA-N
XLogP-0.40
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid with MolForge

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Related Compounds

3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
CID 43354761
N-(cyclopropylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 856765
1-[[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449963
N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 66175567
N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107843843
N-(5-hydroxypentyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107318928
3-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 64670550
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 26245507
N-(2-ethylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 646110
N-(1-hydroxybutan-2-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 43393225
N-(1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 61393718
2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide
CID 2744076

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid (CID 43354422) is 2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of 2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid?
The InChIKey is GANYHLQFVLLHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c15-7(10-4-8(16)17)5-14-12-9(11-13-14)6-2-1-3-18-6/h1-3H,4-5H2,(H,10,15)(H,16,17).
What are the key properties of 2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid?
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid has a molecular weight of 267.27 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43354422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).