2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid

C14H25NO4 — CID 79893903

IUPAC2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H25NO4/c1-11(2)8-15(9-13(16)17)12-3-5-19-14(7-12)4-6-18-10-14/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyCTRPIUDRYISTKK-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.37
Rot. Bonds5

About 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid

2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid (PubChem CID 79893903) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid
PubChem CID79893903
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H25NO4/c1-11(2)8-15(9-13(16)17)12-3-5-19-14(7-12)4-6-18-10-14/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyCTRPIUDRYISTKK-UHFFFAOYSA-N
XLogP1.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid (CID 79893903) is 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid?
The InChIKey is CTRPIUDRYISTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11(2)8-15(9-13(16)17)12-3-5-19-14(7-12)4-6-18-10-14/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid?
2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 79893903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).