2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate

C16H21NO4 — CID 79908757

IUPAC2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate
SMILESNc1ccccc1CC(=O)OC1CCOC2(CCOC2)C1
InChIInChI=1S/C16H21NO4/c17-14-4-2-1-3-12(14)9-15(18)21-13-5-7-20-16(10-13)6-8-19-11-16/h1-4,13H,5-11,17H2
InChIKeyGLIAUNPCOBUIHO-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.69
Rot. Bonds3

About 2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate

2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate (PubChem CID 79908757) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate
PubChem CID79908757
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate
SMILESNc1ccccc1CC(=O)OC1CCOC2(CCOC2)C1
InChIInChI=1S/C16H21NO4/c17-14-4-2-1-3-12(14)9-15(18)21-13-5-7-20-16(10-13)6-8-19-11-16/h1-4,13H,5-11,17H2
InChIKeyGLIAUNPCOBUIHO-UHFFFAOYSA-N
XLogP1.69
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl 3-amino-4-fluorobenzoate
CID 79908761
4-amino-3-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79900845
2,6-dioxaspiro[4.5]decan-9-yl 5-amino-2-fluorobenzoate
CID 79909001
2-amino-5-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 107077160
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
CID 79908209
2-(4-aminophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 116549498
(3,4-dimethylcyclohexyl) 2-(2-aminophenyl)acetate
CID 64746109
[3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol
CID 79894610
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
CID 115957697
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide
CID 79902453
2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908190

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate (CID 79908757) is 2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate is Nc1ccccc1CC(=O)OC1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate?
The InChIKey is GLIAUNPCOBUIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c17-14-4-2-1-3-12(14)9-15(18)21-13-5-7-20-16(10-13)6-8-19-11-16/h1-4,13H,5-11,17H2.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate?
2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate has a molecular weight of 291.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl 2-(2-aminophenyl)acetate is sourced from PubChem (CID 79908757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).