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

C10H15N3O3 — CID 107460718

IUPAC3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cn(CC2CCCO2)nn1
InChIInChI=1S/C10H15N3O3/c14-10(15)4-3-8-6-13(12-11-8)7-9-2-1-5-16-9/h6,9H,1-5,7H2,(H,14,15)
InChIKeyHWADFKYBXIRJMW-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.47
Rot. Bonds5

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

3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid (PubChem CID 107460718) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
PubChem CID107460718
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cn(CC2CCCO2)nn1
InChIInChI=1S/C10H15N3O3/c14-10(15)4-3-8-6-13(12-11-8)7-9-2-1-5-16-9/h6,9H,1-5,7H2,(H,14,15)
InChIKeyHWADFKYBXIRJMW-UHFFFAOYSA-N
XLogP0.47
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid
CID 113424609
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
4-(2-bromoethyl)-1-(oxan-2-ylmethyl)triazole
CID 62395835
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
3-[1-(2-cyclopropylethyl)triazol-4-yl]propanoic acid
CID 107460777
3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 107460810
1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one
CID 158642114
2-[1-[3-(oxolan-2-yl)propyl]triazol-4-yl]ethanol
CID 65166430

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid (CID 107460718) is 3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid is O=C(O)CCc1cn(CC2CCCO2)nn1.
What is the InChIKey of 3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid?
The InChIKey is HWADFKYBXIRJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-10(15)4-3-8-6-13(12-11-8)7-9-2-1-5-16-9/h6,9H,1-5,7H2,(H,14,15).
What are the key properties of 3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid?
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid is sourced from PubChem (CID 107460718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).