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

C11H19NO3 — CID 83040581

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c1-2-3-10(11(13)14)12-6-8-4-5-9(7-12)15-8/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyRMGXSMZADTWYBW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.10
Rot. Bonds4

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

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid (PubChem CID 83040581) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
PubChem CID83040581
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c1-2-3-10(11(13)14)12-6-8-4-5-9(7-12)15-8/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyRMGXSMZADTWYBW-UHFFFAOYSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.10
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)pentanoic acid?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid (CID 83040581) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid is CCCC(C(=O)O)N1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid?
The InChIKey is RMGXSMZADTWYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-10(11(13)14)12-6-8-4-5-9(7-12)15-8/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.10, 4 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)pentanoic acid is sourced from PubChem (CID 83040581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).