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

C12H15N5O3S — CID 43172401

IUPAC4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C12H15N5O3S/c1-16(6-2-5-11(19)20)10(18)8-17-14-12(13-15-17)9-4-3-7-21-9/h3-4,7H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyGHMFRPLKZFHEKQ-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.72
Rot. Bonds7

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

4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid (PubChem CID 43172401) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
PubChem CID43172401
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C12H15N5O3S/c1-16(6-2-5-11(19)20)10(18)8-17-14-12(13-15-17)9-4-3-7-21-9/h3-4,7H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyGHMFRPLKZFHEKQ-UHFFFAOYSA-N
XLogP0.72
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107202006
4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119173060
3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
CID 43354761
2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 60827025
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422
propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 862090
3-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 64670550
N-(cyclopenten-1-yl)-N-ethyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 9114265
4-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 43360065
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
N-(1-hydroxybutan-2-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 43393225

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid (CID 43172401) is 4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of 4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid?
The InChIKey is GHMFRPLKZFHEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-16(6-2-5-11(19)20)10(18)8-17-14-12(13-15-17)9-4-3-7-21-9/h3-4,7H,2,5-6,8H2,1H3,(H,19,20).
What are the key properties of 4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid?
4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid has a molecular weight of 309.35 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43172401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).