4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid

C13H22N4O2 — CID 80541224

IUPAC4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid
SMILESCC(CCn1nnnc1CC1CCCCC1)C(=O)O
InChIInChI=1S/C13H22N4O2/c1-10(13(18)19)7-8-17-12(14-15-16-17)9-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,18,19)
InChIKeyMTJAJAKULWNGAJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.91
Rot. Bonds6

About 4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid

4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid (PubChem CID 80541224) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid
PubChem CID80541224
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid
SMILESCC(CCn1nnnc1CC1CCCCC1)C(=O)O
InChIInChI=1S/C13H22N4O2/c1-10(13(18)19)7-8-17-12(14-15-16-17)9-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,18,19)
InChIKeyMTJAJAKULWNGAJ-UHFFFAOYSA-N
XLogP1.91
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4,4-Difluorocyclohexyl)tetrazol-1-yl]butanoic acid
CID 81934207
4-[5-(4,4-Difluorocyclohexyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 81934246
4-[5-(4,4-Difluorocyclohexyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81934270
3-[5-(4,4-Difluorocyclohexyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 81934324
1-[[5-(4,4-Difluorocyclohexyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 81934350
3-[5-(4,4-Difluorocyclohexyl)tetrazol-1-yl]propanoic acid
CID 81934498
3-[5-(4,4-Difluorocyclohexyl)tetrazol-1-yl]butanoic acid
CID 81934537
3-[5-(4,4-Difluorocyclohexyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 81934559
3-[5-[3-(Trifluoromethyl)cyclohexyl]tetrazol-1-yl]butanoic acid
CID 81935426
3-[5-[4-(Trifluoromethyl)cyclohexyl]tetrazol-1-yl]butanoic acid
CID 81935427
2-Methyl-3-[5-[3-(trifluoromethyl)cyclohexyl]tetrazol-1-yl]propanoic acid
CID 81935428
2-Methyl-3-[5-[4-(trifluoromethyl)cyclohexyl]tetrazol-1-yl]propanoic acid
CID 81935429

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid?
The IUPAC name of 4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid (CID 80541224) is 4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid.
What is the SMILES notation for 4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid?
The canonical SMILES for 4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid is CC(CCn1nnnc1CC1CCCCC1)C(=O)O.
What is the InChIKey of 4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid?
The InChIKey is MTJAJAKULWNGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(13(18)19)7-8-17-12(14-15-16-17)9-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid?
4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclohexylmethyl)tetrazol-1-yl]-2-methylbutanoic acid is sourced from PubChem (CID 80541224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).