2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid

C9H15NO3 — CID 66391349

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
SMILESCC(C(=O)O)N1CC2CCC(C1)O2
InChIInChI=1S/C9H15NO3/c1-6(9(11)12)10-4-7-2-3-8(5-10)13-7/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyVPCDDMOFCUJUBY-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.32
Rot. Bonds2

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid (PubChem CID 66391349) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
PubChem CID66391349
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
SMILESCC(C(=O)O)N1CC2CCC(C1)O2
InChIInChI=1S/C9H15NO3/c1-6(9(11)12)10-4-7-2-3-8(5-10)13-7/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyVPCDDMOFCUJUBY-UHFFFAOYSA-N
XLogP0.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid (CID 66391349) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid is CC(C(=O)O)N1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid?
The InChIKey is VPCDDMOFCUJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(9(11)12)10-4-7-2-3-8(5-10)13-7/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid is sourced from PubChem (CID 66391349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).