3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid

C18H29N3O3 — CID 71114806

IUPAC3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid
SMILESCC(C)CC1CC(n2nnc(C(CCO)CC(=O)O)c2C2CC2)C1
InChIInChI=1S/C18H29N3O3/c1-11(2)7-12-8-15(9-12)21-18(13-3-4-13)17(19-20-21)14(5-6-22)10-16(23)24/h11-15,22H,3-10H2,1-2H3,(H,23,24)
InChIKeyREAWSUFIPDIDCJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.09
Rot. Bonds9

About 3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid

3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid (PubChem CID 71114806) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid.

Molecular Properties

Compound Name3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid
PubChem CID71114806
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid
SMILESCC(C)CC1CC(n2nnc(C(CCO)CC(=O)O)c2C2CC2)C1
InChIInChI=1S/C18H29N3O3/c1-11(2)7-12-8-15(9-12)21-18(13-3-4-13)17(19-20-21)14(5-6-22)10-16(23)24/h11-15,22H,3-10H2,1-2H3,(H,23,24)
InChIKeyREAWSUFIPDIDCJ-UHFFFAOYSA-N
XLogP3.09
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid?
The IUPAC name of 3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid (CID 71114806) is 3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid.
What is the SMILES notation for 3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid?
The canonical SMILES for 3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid is CC(C)CC1CC(n2nnc(C(CCO)CC(=O)O)c2C2CC2)C1.
What is the InChIKey of 3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid?
The InChIKey is REAWSUFIPDIDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-11(2)7-12-8-15(9-12)21-18(13-3-4-13)17(19-20-21)14(5-6-22)10-16(23)24/h11-15,22H,3-10H2,1-2H3,(H,23,24).
What are the key properties of 3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid?
3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid has a molecular weight of 335.45 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-1-[3-(2-methylpropyl)cyclobutyl]triazol-4-yl]-5-hydroxypentanoic acid is sourced from PubChem (CID 71114806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).