4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid

C11H13N5O3S — CID 43245246

IUPAC4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C11H13N5O3S/c17-9(12-4-1-2-10(18)19)6-16-14-11(13-15-16)8-3-5-20-7-8/h3,5,7H,1-2,4,6H2,(H,12,17)(H,18,19)
InChIKeyMDLTUPLVSDYZFK-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.38
Rot. Bonds7

About 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid

4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid (PubChem CID 43245246) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
PubChem CID43245246
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C11H13N5O3S/c17-9(12-4-1-2-10(18)19)6-16-14-11(13-15-16)8-3-5-20-7-8/h3,5,7H,1-2,4,6H2,(H,12,17)(H,18,19)
InChIKeyMDLTUPLVSDYZFK-UHFFFAOYSA-N
XLogP0.38
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 107318628
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115628398
N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 103862002
3-methyl-4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 81065022
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942
2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide
CID 177376627
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128274
3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
CID 43354761
N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115878438

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid (CID 43245246) is 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid is O=C(O)CCCNC(=O)Cn1nnc(-c2ccsc2)n1.
What is the InChIKey of 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid?
The InChIKey is MDLTUPLVSDYZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c17-9(12-4-1-2-10(18)19)6-16-14-11(13-15-16)8-3-5-20-7-8/h3,5,7H,1-2,4,6H2,(H,12,17)(H,18,19).
What are the key properties of 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid?
4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid has a molecular weight of 295.32 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43245246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).