5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid

C10H16N4O3 — CID 82855163

IUPAC5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cn1ccnn1
InChIInChI=1S/C10H16N4O3/c1-8(3-2-4-10(16)17)12-9(15)7-14-6-5-11-13-14/h5-6,8H,2-4,7H2,1H3,(H,12,15)(H,16,17)
InChIKeyYVBBFGSNKJZSDS-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.04
Rot. Bonds7

About 5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid

5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid (PubChem CID 82855163) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid
PubChem CID82855163
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cn1ccnn1
InChIInChI=1S/C10H16N4O3/c1-8(3-2-4-10(16)17)12-9(15)7-14-6-5-11-13-14/h5-6,8H,2-4,7H2,1H3,(H,12,15)(H,16,17)
InChIKeyYVBBFGSNKJZSDS-UHFFFAOYSA-N
XLogP0.04
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid (CID 82855163) is 5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)Cn1ccnn1.
What is the InChIKey of 5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is YVBBFGSNKJZSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-8(3-2-4-10(16)17)12-9(15)7-14-6-5-11-13-14/h5-6,8H,2-4,7H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid?
5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 82855163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).