2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid

C11H20N2O2 — CID 138746892

IUPAC2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid
SMILESCC(C)(C)N1CC2CC1CN2CC(=O)O
InChIInChI=1S/C11H20N2O2/c1-11(2,3)13-6-8-4-9(13)5-12(8)7-10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyHEKYYKAXNCPDLS-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.63
Rot. Bonds2

About 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid

2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid (PubChem CID 138746892) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid
PubChem CID138746892
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid
SMILESCC(C)(C)N1CC2CC1CN2CC(=O)O
InChIInChI=1S/C11H20N2O2/c1-11(2,3)13-6-8-4-9(13)5-12(8)7-10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyHEKYYKAXNCPDLS-UHFFFAOYSA-N
XLogP0.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3-methylhexan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetic acid
CID 166650419
2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 176615945
(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane
CID 59783677
2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;ethane
CID 161246587
(1R,4R)-2-tert-butyl-5-(cyclohexylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 176841722
2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid
CID 130543589
8-tert-butyl-3-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176842005
2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 176841596
2-tert-butyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 176841736
(1S,4S)-2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 160727346
2-(7-tert-butyl-3-hydroxy-1,3,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetic acid
CID 138577790
3-[4-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylbutan-2-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 167053533

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid?
The IUPAC name of 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid (CID 138746892) is 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid.
What is the SMILES notation for 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid?
The canonical SMILES for 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid is CC(C)(C)N1CC2CC1CN2CC(=O)O.
What is the InChIKey of 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid?
The InChIKey is HEKYYKAXNCPDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)13-6-8-4-9(13)5-12(8)7-10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid?
2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid has a molecular weight of 212.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid is sourced from PubChem (CID 138746892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).