6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid

C11H17N3O3 — CID 28788683

IUPAC6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cn1cccn1
InChIInChI=1S/C11H17N3O3/c15-10(9-14-8-4-7-13-14)12-6-3-1-2-5-11(16)17/h4,7-8H,1-3,5-6,9H2,(H,12,15)(H,16,17)
InChIKeySJKSKHLNQLDEPI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.64
Rot. Bonds8

About 6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid

6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid (PubChem CID 28788683) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid
PubChem CID28788683
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cn1cccn1
InChIInChI=1S/C11H17N3O3/c15-10(9-14-8-4-7-13-14)12-6-3-1-2-5-11(16)17/h4,7-8H,1-3,5-6,9H2,(H,12,15)(H,16,17)
InChIKeySJKSKHLNQLDEPI-UHFFFAOYSA-N
XLogP0.64
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid (CID 28788683) is 6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)Cn1cccn1.
What is the InChIKey of 6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid?
The InChIKey is SJKSKHLNQLDEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-10(9-14-8-4-7-13-14)12-6-3-1-2-5-11(16)17/h4,7-8H,1-3,5-6,9H2,(H,12,15)(H,16,17).
What are the key properties of 6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid?
6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid is sourced from PubChem (CID 28788683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).