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

C11H19NO3 — CID 66369474

IUPAC3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
SMILESCCC(CC(=O)O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c1-2-8(5-11(13)14)12-6-9-3-4-10(7-12)15-9/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyRFVJVVIBVFFWBO-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.10
Rot. Bonds4

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

3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid (PubChem CID 66369474) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid.

Molecular Properties

Compound Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
PubChem CID66369474
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
SMILESCCC(CC(=O)O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c1-2-8(5-11(13)14)12-6-9-3-4-10(7-12)15-9/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyRFVJVVIBVFFWBO-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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Related Compounds

4,4,4-Trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoic acid
CID 66372219
3-[(2S)-4-hexan-2-ylmorpholin-2-yl]propanoic acid
CID 129013812
1-(Oxolan-2-ylmethyl)piperidine-2-carboxylic acid
CID 43441028
5-(2,5-Dimethylmorpholin-4-yl)pentanoic acid
CID 43544796
3-(3-Propoxypiperidin-1-yl)pentanoic acid
CID 55148449
3-[Oxolan-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 60840332
2-[1-(Oxolan-2-ylmethyl)piperidin-2-yl]acetic acid
CID 61010276
2-[1-(Oxan-2-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 61372094
5-(5-Ethyl-2-methylmorpholin-4-yl)pentanoic acid
CID 61423992
3-[Methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 61431998
3-[Ethyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 61434525
3-(2-Ethylmorpholin-4-yl)pentanoic acid
CID 63067067

Frequently Asked Questions

What is the IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid?
The IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid (CID 66369474) is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid.
What is the SMILES notation for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid?
The canonical SMILES for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid is CCC(CC(=O)O)N1CC2CCC(C1)O2.
What is the InChIKey of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid?
The InChIKey is RFVJVVIBVFFWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-8(5-11(13)14)12-6-9-3-4-10(7-12)15-9/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid?
3-(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 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid is sourced from PubChem (CID 66369474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).