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

C14H17NO3 — CID 66391933

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CC2CCC(C1)O2
InChIInChI=1S/C14H17NO3/c16-14(17)13(10-4-2-1-3-5-10)15-8-11-6-7-12(9-15)18-11/h1-5,11-13H,6-9H2,(H,16,17)
InChIKeyIFMIBIDYLGGHAS-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.68
Rot. Bonds3

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

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid (PubChem CID 66391933) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid
PubChem CID66391933
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CC2CCC(C1)O2
InChIInChI=1S/C14H17NO3/c16-14(17)13(10-4-2-1-3-5-10)15-8-11-6-7-12(9-15)18-11/h1-5,11-13H,6-9H2,(H,16,17)
InChIKeyIFMIBIDYLGGHAS-UHFFFAOYSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate
CID 103715635
2-(3,5-dimethoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 138030425
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
2-phenyl-2-(3-propylazetidin-1-yl)acetic acid
CID 79687022
acetic acid;(1S,5R)-3-[carboxy(phenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 154908920
(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
CID 129430805
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid
CID 79687237
2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride
CID 118798723
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid (CID 66391933) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid?
The InChIKey is IFMIBIDYLGGHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(17)13(10-4-2-1-3-5-10)15-8-11-6-7-12(9-15)18-11/h1-5,11-13H,6-9H2,(H,16,17).
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid has a molecular weight of 247.29 g/mol, XLogP of 1.68, 3 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)-2-phenylacetic acid is sourced from PubChem (CID 66391933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).