2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid

C13H22N2O3 — CID 64528910

IUPAC2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid
SMILESO=C(O)CC1(N2CCOCC2)CN2CCC1CC2
InChIInChI=1S/C13H22N2O3/c16-12(17)9-13(15-5-7-18-8-6-15)10-14-3-1-11(13)2-4-14/h11H,1-10H2,(H,16,17)
InChIKeyPIFWWCRADAVPNL-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.26
Rot. Bonds3

About 2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid

2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid (PubChem CID 64528910) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid
PubChem CID64528910
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid
SMILESO=C(O)CC1(N2CCOCC2)CN2CCC1CC2
InChIInChI=1S/C13H22N2O3/c16-12(17)9-13(15-5-7-18-8-6-15)10-14-3-1-11(13)2-4-14/h11H,1-10H2,(H,16,17)
InChIKeyPIFWWCRADAVPNL-UHFFFAOYSA-N
XLogP0.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid?
The IUPAC name of 2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid (CID 64528910) is 2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid?
The canonical SMILES for 2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid is O=C(O)CC1(N2CCOCC2)CN2CCC1CC2.
What is the InChIKey of 2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid?
The InChIKey is PIFWWCRADAVPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(17)9-13(15-5-7-18-8-6-15)10-14-3-1-11(13)2-4-14/h11H,1-10H2,(H,16,17).
What are the key properties of 2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid?
2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid is sourced from PubChem (CID 64528910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).