2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid

C10H16N4O2 — CID 82226090

IUPAC2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1nnnc1C1CC1
InChIInChI=1S/C10H16N4O2/c1-6(2)5-8(10(15)16)14-9(7-3-4-7)11-12-13-14/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyHURUCGPAPADYET-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.22
Rot. Bonds5

About 2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid

2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid (PubChem CID 82226090) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid
PubChem CID82226090
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1nnnc1C1CC1
InChIInChI=1S/C10H16N4O2/c1-6(2)5-8(10(15)16)14-9(7-3-4-7)11-12-13-14/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyHURUCGPAPADYET-UHFFFAOYSA-N
XLogP1.22
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid?
The IUPAC name of 2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid (CID 82226090) is 2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid?
The canonical SMILES for 2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid is CC(C)CC(C(=O)O)n1nnnc1C1CC1.
What is the InChIKey of 2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid?
The InChIKey is HURUCGPAPADYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(2)5-8(10(15)16)14-9(7-3-4-7)11-12-13-14/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid?
2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid is sourced from PubChem (CID 82226090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).