6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid

C13H23NO3 — CID 79686303

IUPAC6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CC2(CCOCC2)C1
InChIInChI=1S/C13H23NO3/c15-12(16)4-2-1-3-7-14-10-13(11-14)5-8-17-9-6-13/h1-11H2,(H,15,16)
InChIKeyLQACNJLOKRNVEA-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds6

About 6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid

6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid (PubChem CID 79686303) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid.

Molecular Properties

Compound Name6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid
PubChem CID79686303
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CC2(CCOCC2)C1
InChIInChI=1S/C13H23NO3/c15-12(16)4-2-1-3-7-14-10-13(11-14)5-8-17-9-6-13/h1-11H2,(H,15,16)
InChIKeyLQACNJLOKRNVEA-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-azaspiro[2.3]hexan-5-yl)pentanoic acid
CID 79695089
6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexan-1-ol
CID 107849721
6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid
CID 114279188
N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine
CID 79677745
6-(aziridin-1-yl)hexanoic acid
CID 141385441
2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
CID 106159274
5-(3,3-diethylazetidin-1-yl)pentanoic acid
CID 79694469
4-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]benzoic acid
CID 79694512
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid
CID 170612769
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid
CID 81131310

Frequently Asked Questions

What is the IUPAC name of 6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid?
The IUPAC name of 6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid (CID 79686303) is 6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid.
What is the SMILES notation for 6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid?
The canonical SMILES for 6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid is O=C(O)CCCCCN1CC2(CCOCC2)C1.
What is the InChIKey of 6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid?
The InChIKey is LQACNJLOKRNVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-12(16)4-2-1-3-7-14-10-13(11-14)5-8-17-9-6-13/h1-11H2,(H,15,16).
What are the key properties of 6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid?
6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid is sourced from PubChem (CID 79686303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).