3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid

C11H17N3O3 — CID 107460597

IUPAC3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cn(C2CCCCC2O)nn1
InChIInChI=1S/C11H17N3O3/c15-10-4-2-1-3-9(10)14-7-8(12-13-14)5-6-11(16)17/h7,9-10,15H,1-6H2,(H,16,17)
InChIKeyQKLPJBJUYUQGCN-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.77
Rot. Bonds4

About 3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid

3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid (PubChem CID 107460597) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid
PubChem CID107460597
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cn(C2CCCCC2O)nn1
InChIInChI=1S/C11H17N3O3/c15-10-4-2-1-3-9(10)14-7-8(12-13-14)5-6-11(16)17/h7,9-10,15H,1-6H2,(H,16,17)
InChIKeyQKLPJBJUYUQGCN-UHFFFAOYSA-N
XLogP0.77
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid
CID 107461685
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075
trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol
CID 101445678
2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol
CID 113374500
3-[1-[1-(benzenesulfonyl)piperidin-4-yl]triazol-4-yl]propanoic acid
CID 46989749
trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861983
3-[1-(2-cyclopropylethyl)triazol-4-yl]propanoic acid
CID 107460777
3-(1-methyltriazol-4-yl)propanoic acid
CID 21284782
trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861982
3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)triazol-4-yl]propanoic acid
CID 107460768
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
3-(1-phenyltriazol-4-yl)propanoic acid
CID 15619013

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid (CID 107460597) is 3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid is O=C(O)CCc1cn(C2CCCCC2O)nn1.
What is the InChIKey of 3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid?
The InChIKey is QKLPJBJUYUQGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-10-4-2-1-3-9(10)14-7-8(12-13-14)5-6-11(16)17/h7,9-10,15H,1-6H2,(H,16,17).
What are the key properties of 3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid?
3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid is sourced from PubChem (CID 107460597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).