5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid

C15H21N3O3 — CID 102900091

IUPAC5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(CC2CCC3(CCCC3)O2)c1C1CC1
InChIInChI=1S/C15H21N3O3/c19-14(20)12-13(10-3-4-10)18(17-16-12)9-11-5-8-15(21-11)6-1-2-7-15/h10-11H,1-9H2,(H,19,20)
InChIKeyOMXUGPWVZJGYNU-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.35
Rot. Bonds4

About 5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid

5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid (PubChem CID 102900091) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid
PubChem CID102900091
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(CC2CCC3(CCCC3)O2)c1C1CC1
InChIInChI=1S/C15H21N3O3/c19-14(20)12-13(10-3-4-10)18(17-16-12)9-11-5-8-15(21-11)6-1-2-7-15/h10-11H,1-9H2,(H,19,20)
InChIKeyOMXUGPWVZJGYNU-UHFFFAOYSA-N
XLogP2.35
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid (CID 102900091) is 5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid is O=C(O)c1nnn(CC2CCC3(CCCC3)O2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid?
The InChIKey is OMXUGPWVZJGYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(20)12-13(10-3-4-10)18(17-16-12)9-11-5-8-15(21-11)6-1-2-7-15/h10-11H,1-9H2,(H,19,20).
What are the key properties of 5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid?
5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 102900091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).