8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

C10H17NO4 — CID 67379021

IUPAC8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESCC1COC2(CCC(N)(C(=O)O)CC2)O1
InChIInChI=1S/C10H17NO4/c1-7-6-14-10(15-7)4-2-9(11,3-5-10)8(12)13/h7H,2-6,11H2,1H3,(H,12,13)
InChIKeyMIZOIHYPLYTQLP-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.47
Rot. Bonds1

About 8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (PubChem CID 67379021) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
PubChem CID67379021
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESCC1COC2(CCC(N)(C(=O)O)CC2)O1
InChIInChI=1S/C10H17NO4/c1-7-6-14-10(15-7)4-2-9(11,3-5-10)8(12)13/h7H,2-6,11H2,1H3,(H,12,13)
InChIKeyMIZOIHYPLYTQLP-UHFFFAOYSA-N
XLogP0.47
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (CID 67379021) is 8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is CC1COC2(CCC(N)(C(=O)O)CC2)O1.
What is the InChIKey of 8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is MIZOIHYPLYTQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7-6-14-10(15-7)4-2-9(11,3-5-10)8(12)13/h7H,2-6,11H2,1H3,(H,12,13).
What are the key properties of 8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 67379021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).