2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid

C10H18N4O2 — CID 66042798

IUPAC2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid
SMILESCC(C)CCc1nnnn1C(C)(C)C(=O)O
InChIInChI=1S/C10H18N4O2/c1-7(2)5-6-8-11-12-13-14(8)10(3,4)9(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyGIBXYGYZMYHIAY-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.08
Rot. Bonds5

About 2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid

2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid (PubChem CID 66042798) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid
PubChem CID66042798
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid
SMILESCC(C)CCc1nnnn1C(C)(C)C(=O)O
InChIInChI=1S/C10H18N4O2/c1-7(2)5-6-8-11-12-13-14(8)10(3,4)9(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyGIBXYGYZMYHIAY-UHFFFAOYSA-N
XLogP1.08
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid (CID 66042798) is 2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid is CC(C)CCc1nnnn1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid?
The InChIKey is GIBXYGYZMYHIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)5-6-8-11-12-13-14(8)10(3,4)9(15)16/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66042798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).