2-[2,6-dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid

C14H25NO4 — CID 79893977

IUPAC2-[2,6-dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(C1CCOC2(CCOC2)C1)C(C)(C)C(=O)O
InChIInChI=1S/C14H25NO4/c1-4-15(13(2,3)12(16)17)11-5-7-19-14(9-11)6-8-18-10-14/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyIALGKZPDNUFCJW-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.51
Rot. Bonds4

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

2-[2,6-dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 79893977) 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(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2,6-dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid
PubChem CID79893977
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[2,6-dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(C1CCOC2(CCOC2)C1)C(C)(C)C(=O)O
InChIInChI=1S/C14H25NO4/c1-4-15(13(2,3)12(16)17)11-5-7-19-14(9-11)6-8-18-10-14/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyIALGKZPDNUFCJW-UHFFFAOYSA-N
XLogP1.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.51
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(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid (CID 79893977) is 2-[2,6-dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2,6-dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2,6-dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid is CCN(C1CCOC2(CCOC2)C1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2,6-dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is IALGKZPDNUFCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-15(13(2,3)12(16)17)11-5-7-19-14(9-11)6-8-18-10-14/h11H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2,6-dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid?
2-[2,6-dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.51, 4 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(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79893977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).