4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid

C12H22N4O2 — CID 66046773

IUPAC4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid
SMILESCC(Cc1nnnn1CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H22N4O2/c1-9(12(2,3)4)8-10-13-14-15-16(10)7-5-6-11(17)18/h9H,5-8H2,1-4H3,(H,17,18)
InChIKeyOOSLESDORBWOSJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.76
Rot. Bonds6

About 4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid

4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid (PubChem CID 66046773) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid
PubChem CID66046773
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid
SMILESCC(Cc1nnnn1CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H22N4O2/c1-9(12(2,3)4)8-10-13-14-15-16(10)7-5-6-11(17)18/h9H,5-8H2,1-4H3,(H,17,18)
InChIKeyOOSLESDORBWOSJ-UHFFFAOYSA-N
XLogP1.76
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-octadecyltetrazol-5-yl)propanoic acid
CID 162532467
4-[5-(2-methylsulfonylpropan-2-yl)tetrazol-1-yl]butanoic acid
CID 66047002
3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid
CID 94970264
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
CID 66047470
4-[5-(diethylamino)tetrazol-1-yl]butanoic acid
CID 139677761
4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid
CID 82226252
2-(1-nonyltetrazol-5-yl)acetic acid
CID 162532459
3-[(1-butyltetrazol-5-yl)methylsulfanyl]butanoic acid
CID 66137611
4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid
CID 113269967
3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid
CID 84758866
2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid
CID 62637803
2-[[4-methyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115393105

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid (CID 66046773) is 4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid is CC(Cc1nnnn1CCCC(=O)O)C(C)(C)C.
What is the InChIKey of 4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid?
The InChIKey is OOSLESDORBWOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(12(2,3)4)8-10-13-14-15-16(10)7-5-6-11(17)18/h9H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid?
4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66046773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).