3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid

C12H16N4O2S — CID 82225842

IUPAC3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid
SMILESCCC(C)C(C(=O)O)n1nnnc1Cc1cccs1
InChIInChI=1S/C12H16N4O2S/c1-3-8(2)11(12(17)18)16-10(13-14-15-16)7-9-5-4-6-19-9/h4-6,8,11H,3,7H2,1-2H3,(H,17,18)
InChIKeyNZYRYPYASNABNY-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.00
Rot. Bonds6

About 3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid

3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid (PubChem CID 82225842) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid
PubChem CID82225842
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid
SMILESCCC(C)C(C(=O)O)n1nnnc1Cc1cccs1
InChIInChI=1S/C12H16N4O2S/c1-3-8(2)11(12(17)18)16-10(13-14-15-16)7-9-5-4-6-19-9/h4-6,8,11H,3,7H2,1-2H3,(H,17,18)
InChIKeyNZYRYPYASNABNY-UHFFFAOYSA-N
XLogP2.00
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid
CID 82225831
4-methylsulfanyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]butanoic acid
CID 82226004
N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 63292400
(2R,3R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoic acid
CID 94654599
2,3-dimethyl-4-thiophen-2-ylbutanoic acid
CID 81007832
2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
CID 66042380
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
2-[[1-butan-2-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 118427539
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid
CID 66042769
carbonochloridic acid;2-ethylthiophene
CID 88766829

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid?
The IUPAC name of 3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid (CID 82225842) is 3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid?
The canonical SMILES for 3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid is CCC(C)C(C(=O)O)n1nnnc1Cc1cccs1.
What is the InChIKey of 3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid?
The InChIKey is NZYRYPYASNABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-8(2)11(12(17)18)16-10(13-14-15-16)7-9-5-4-6-19-9/h4-6,8,11H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid?
3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid has a molecular weight of 280.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid is sourced from PubChem (CID 82225842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).