2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid

C9H15NO3 — CID 121202197

IUPAC2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid
SMILESCOC1C2CC1CN(CC(=O)O)C2
InChIInChI=1S/C9H15NO3/c1-13-9-6-2-7(9)4-10(3-6)5-8(11)12/h6-7,9H,2-5H2,1H3,(H,11,12)
InChIKeySRBNENQBRYJHNX-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.04
Rot. Bonds3

About 2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid

2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid (PubChem CID 121202197) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid
PubChem CID121202197
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid
SMILESCOC1C2CC1CN(CC(=O)O)C2
InChIInChI=1S/C9H15NO3/c1-13-9-6-2-7(9)4-10(3-6)5-8(11)12/h6-7,9H,2-5H2,1H3,(H,11,12)
InChIKeySRBNENQBRYJHNX-UHFFFAOYSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid?
The IUPAC name of 2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid (CID 121202197) is 2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid?
The canonical SMILES for 2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid is COC1C2CC1CN(CC(=O)O)C2.
What is the InChIKey of 2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid?
The InChIKey is SRBNENQBRYJHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-9-6-2-7(9)4-10(3-6)5-8(11)12/h6-7,9H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid?
2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid has a molecular weight of 185.22 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid is sourced from PubChem (CID 121202197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).