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

C14H23N3O2 — CID 55107830

IUPAC2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(Cc1nncn1C1CCCC1)C(=O)O
InChIInChI=1S/C14H23N3O2/c1-3-14(4-2,13(18)19)9-12-16-15-10-17(12)11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyIAZUSQVLQNXPLH-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.83
Rot. Bonds6

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

2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid (PubChem CID 55107830) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid
PubChem CID55107830
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(Cc1nncn1C1CCCC1)C(=O)O
InChIInChI=1S/C14H23N3O2/c1-3-14(4-2,13(18)19)9-12-16-15-10-17(12)11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyIAZUSQVLQNXPLH-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Pentyl-1,2,4-triazol-3-yl)propanoic acid
CID 70631098
2-Methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 82597932
3-[4-Cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]propanoic acid
CID 121340213
2-Ethyl-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]butanoic acid
CID 55107735
2-Ethyl-2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]butanoic acid
CID 55107783
2-Ethyl-2-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 55108231
1-[(4-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 55108623
1-[(4-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 55108624
2-[(4-Cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid
CID 55108675
2,3-Dimethyl-2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 55111471
2-[(5-Tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid
CID 55111655
2,3-Dimethyl-2-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 55111796

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid (CID 55107830) is 2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid is CCC(CC)(Cc1nncn1C1CCCC1)C(=O)O.
What is the InChIKey of 2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid?
The InChIKey is IAZUSQVLQNXPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-14(4-2,13(18)19)9-12-16-15-10-17(12)11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid?
2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid has a molecular weight of 265.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 55107830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).