2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid

C14H26N2O2 — CID 138746899

IUPAC2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
SMILESCC(C)(C)N1CCC2(CCN(CC(=O)O)CC2)C1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)16-9-6-14(11-16)4-7-15(8-5-14)10-12(17)18/h4-11H2,1-3H3,(H,17,18)
InChIKeyIOOPTUNXLAAYDP-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.66
Rot. Bonds2

About 2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid

2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid (PubChem CID 138746899) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
PubChem CID138746899
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
SMILESCC(C)(C)N1CCC2(CCN(CC(=O)O)CC2)C1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)16-9-6-14(11-16)4-7-15(8-5-14)10-12(17)18/h4-11H2,1-3H3,(H,17,18)
InChIKeyIOOPTUNXLAAYDP-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid?
The IUPAC name of 2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid (CID 138746899) is 2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid.
What is the SMILES notation for 2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid?
The canonical SMILES for 2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid is CC(C)(C)N1CCC2(CCN(CC(=O)O)CC2)C1.
What is the InChIKey of 2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid?
The InChIKey is IOOPTUNXLAAYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)16-9-6-14(11-16)4-7-15(8-5-14)10-12(17)18/h4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid?
2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid has a molecular weight of 254.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid is sourced from PubChem (CID 138746899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).