5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid

C11H19NO3 — CID 66391546

IUPAC5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
SMILESO=C(O)CCCCN1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c13-11(14)3-1-2-6-12-7-9-4-5-10(8-12)15-9/h9-10H,1-8H2,(H,13,14)
InChIKeyIGMVLCSORCLABS-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.10
Rot. Bonds5

About 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid

5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid (PubChem CID 66391546) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
PubChem CID66391546
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
SMILESO=C(O)CCCCN1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c13-11(14)3-1-2-6-12-7-9-4-5-10(8-12)15-9/h9-10H,1-8H2,(H,13,14)
InChIKeyIGMVLCSORCLABS-UHFFFAOYSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide
CID 66371828
3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propanoic acid
CID 84765924
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 103738015
5-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pentanoic acid
CID 163404210
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)hexanoic acid
CID 66372266
4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
CID 106670158
2-methyl-2-(methylamino)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
CID 66371956
hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
CID 66371826
6-(aziridin-1-yl)hexanoic acid
CID 141385441
6-(3-propylazetidin-1-yl)hexanoic acid
CID 79686619
10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid
CID 150496556

Frequently Asked Questions

What is the IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid?
The IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid (CID 66391546) is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid.
What is the SMILES notation for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid?
The canonical SMILES for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid is O=C(O)CCCCN1CC2CCC(C1)O2.
What is the InChIKey of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid?
The InChIKey is IGMVLCSORCLABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(14)3-1-2-6-12-7-9-4-5-10(8-12)15-9/h9-10H,1-8H2,(H,13,14).
What are the key properties of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid?
5-(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, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid is sourced from PubChem (CID 66391546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).