3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid

C11H20N4O2 — CID 81071652

IUPAC3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid
SMILESCCC(CC)c1nnnn1CC(C)CC(=O)O
InChIInChI=1S/C11H20N4O2/c1-4-9(5-2)11-12-13-14-15(11)7-8(3)6-10(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyQRYKMLFAVIINMR-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.69
Rot. Bonds7

About 3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid

3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid (PubChem CID 81071652) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid
PubChem CID81071652
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid
SMILESCCC(CC)c1nnnn1CC(C)CC(=O)O
InChIInChI=1S/C11H20N4O2/c1-4-9(5-2)11-12-13-14-15(11)7-8(3)6-10(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyQRYKMLFAVIINMR-UHFFFAOYSA-N
XLogP1.69
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3,3,3-Trifluoropropyl)tetrazol-1-yl]butanoic acid
CID 66045109
4-[5-(2,2,2-Trifluoroethyl)tetrazol-1-yl]butanoic acid
CID 66047230
4-[5-(Difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541220
2-Methyl-4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid
CID 80541367
2-Methyl-4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid
CID 80541415
2-Methyl-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 80541556
2-Methyl-4-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]butanoic acid
CID 80541591
2-Methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid
CID 80541644
3-[[5-(1,1,2,2-Tetrafluoroethyl)tetrazol-1-yl]methyl]pentanoic acid
CID 81070350
3-[[5-(Trifluoromethyl)tetrazol-1-yl]methyl]pentanoic acid
CID 81070604
3-[[5-(1,1,2,2,2-Pentafluoroethyl)tetrazol-1-yl]methyl]pentanoic acid
CID 81070607
3-Methyl-4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid
CID 81070709

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid?
The IUPAC name of 3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid (CID 81071652) is 3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid?
The canonical SMILES for 3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid is CCC(CC)c1nnnn1CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid?
The InChIKey is QRYKMLFAVIINMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-9(5-2)11-12-13-14-15(11)7-8(3)6-10(16)17/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid?
3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid has a molecular weight of 240.31 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 81071652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).