10-(benzotriazol-1-ylamino)decanoic acid

C16H24N4O2 — CID 155568237

IUPAC10-(benzotriazol-1-ylamino)decanoic acid
SMILESO=C(O)CCCCCCCCCNn1nnc2ccccc21
InChIInChI=1S/C16H24N4O2/c21-16(22)12-6-4-2-1-3-5-9-13-17-20-15-11-8-7-10-14(15)18-19-20/h7-8,10-11,17H,1-6,9,12-13H2,(H,21,22)
InChIKeyZJHPZJHYOWTCSU-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.18
Rot. Bonds11

About 10-(benzotriazol-1-ylamino)decanoic acid

10-(benzotriazol-1-ylamino)decanoic acid (PubChem CID 155568237) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 10-(benzotriazol-1-ylamino)decanoic acid.

Molecular Properties

Compound Name10-(benzotriazol-1-ylamino)decanoic acid
PubChem CID155568237
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name10-(benzotriazol-1-ylamino)decanoic acid
SMILESO=C(O)CCCCCCCCCNn1nnc2ccccc21
InChIInChI=1S/C16H24N4O2/c21-16(22)12-6-4-2-1-3-5-9-13-17-20-15-11-8-7-10-14(15)18-19-20/h7-8,10-11,17H,1-6,9,12-13H2,(H,21,22)
InChIKeyZJHPZJHYOWTCSU-UHFFFAOYSA-N
XLogP3.18
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(benzotriazol-1-ylamino)decanoic acid?
The IUPAC name of 10-(benzotriazol-1-ylamino)decanoic acid (CID 155568237) is 10-(benzotriazol-1-ylamino)decanoic acid.
What is the SMILES notation for 10-(benzotriazol-1-ylamino)decanoic acid?
The canonical SMILES for 10-(benzotriazol-1-ylamino)decanoic acid is O=C(O)CCCCCCCCCNn1nnc2ccccc21.
What is the InChIKey of 10-(benzotriazol-1-ylamino)decanoic acid?
The InChIKey is ZJHPZJHYOWTCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-16(22)12-6-4-2-1-3-5-9-13-17-20-15-11-8-7-10-14(15)18-19-20/h7-8,10-11,17H,1-6,9,12-13H2,(H,21,22).
What are the key properties of 10-(benzotriazol-1-ylamino)decanoic acid?
10-(benzotriazol-1-ylamino)decanoic acid has a molecular weight of 304.39 g/mol, XLogP of 3.18, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(benzotriazol-1-ylamino)decanoic acid is sourced from PubChem (CID 155568237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).