2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid

C15H25N3O2 — CID 61362189

IUPAC2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid
SMILESCc1nnc(CC(C)(C(=O)O)C(C)C)n1C1CCCC1
InChIInChI=1S/C15H25N3O2/c1-10(2)15(4,14(19)20)9-13-17-16-11(3)18(13)12-7-5-6-8-12/h10,12H,5-9H2,1-4H3,(H,19,20)
InChIKeyBCUYUVFICMBAMJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.99
Rot. Bonds5

About 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid

2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid (PubChem CID 61362189) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid
PubChem CID61362189
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid
SMILESCc1nnc(CC(C)(C(=O)O)C(C)C)n1C1CCCC1
InChIInChI=1S/C15H25N3O2/c1-10(2)15(4,14(19)20)9-13-17-16-11(3)18(13)12-7-5-6-8-12/h10,12H,5-9H2,1-4H3,(H,19,20)
InChIKeyBCUYUVFICMBAMJ-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid (CID 61362189) is 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid is Cc1nnc(CC(C)(C(=O)O)C(C)C)n1C1CCCC1.
What is the InChIKey of 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid?
The InChIKey is BCUYUVFICMBAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)15(4,14(19)20)9-13-17-16-11(3)18(13)12-7-5-6-8-12/h10,12H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid?
2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 61362189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).