2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid

C12H20N4O2 — CID 107185878

IUPAC2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid
SMILESCC1CCCC1c1nnnn1C(C)C(C)C(=O)O
InChIInChI=1S/C12H20N4O2/c1-7-5-4-6-10(7)11-13-14-15-16(11)9(3)8(2)12(17)18/h7-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyJYOHEICWDKORRY-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid

2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid (PubChem CID 107185878) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid
PubChem CID107185878
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid
SMILESCC1CCCC1c1nnnn1C(C)C(C)C(=O)O
InChIInChI=1S/C12H20N4O2/c1-7-5-4-6-10(7)11-13-14-15-16(11)9(3)8(2)12(17)18/h7-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyJYOHEICWDKORRY-UHFFFAOYSA-N
XLogP1.86
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid (CID 107185878) is 2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid is CC1CCCC1c1nnnn1C(C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid?
The InChIKey is JYOHEICWDKORRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7-5-4-6-10(7)11-13-14-15-16(11)9(3)8(2)12(17)18/h7-10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid?
2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid has a molecular weight of 252.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 107185878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).