2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride

C8H14ClNO3 — CID 176955983

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CC2CCC(C1)O2
InChIInChI=1S/C8H13NO3.ClH/c10-8(11)5-9-3-6-1-2-7(4-9)12-6;/h6-7H,1-5H2,(H,10,11);1H
InChIKeyYTKSMGPDVUNSJS-UHFFFAOYSA-N
MW207.66 g/mol
LogP0.36
Rot. Bonds2

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride (PubChem CID 176955983) has the molecular formula C8H14ClNO3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
PubChem CID176955983
Molecular FormulaC8H14ClNO3
Molecular Weight207.66 g/mol
Exact Mass207.07
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CC2CCC(C1)O2
InChIInChI=1S/C8H13NO3.ClH/c10-8(11)5-9-3-6-1-2-7(4-9)12-6;/h6-7H,1-5H2,(H,10,11);1H
InChIKeyYTKSMGPDVUNSJS-UHFFFAOYSA-N
XLogP0.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-ol hydrochloride
CID 137964486
[2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl] 2,2,2-trifluoroacetate
CID 156853979
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 175383532
2-[4-(Oxolan-2-ylmethyl)piperazin-1-yl]acetic acid
CID 43397377
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 66391932
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde
CID 66394065
2-(4-((Tetrahydrofuran-2-yl)methyl)piperazin-1-yl)acetic acid hydrochloride
CID 67009184
(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 68914815
8-Oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 69490988
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride
CID 87331547
Tert-butyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
CID 156853949
2-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid
CID 176955971

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride (CID 176955983) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride is Cl.O=C(O)CN1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride?
The InChIKey is YTKSMGPDVUNSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.ClH/c10-8(11)5-9-3-6-1-2-7(4-9)12-6;/h6-7H,1-5H2,(H,10,11);1H.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of 0.36, 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)acetic acid;hydrochloride is sourced from PubChem (CID 176955983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).