ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate

C16H21NO3 — CID 103715635

IUPACethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N1CC2CCC(C1)O2
InChIInChI=1S/C16H21NO3/c1-2-19-16(18)15(12-6-4-3-5-7-12)17-10-13-8-9-14(11-17)20-13/h3-7,13-15H,2,8-11H2,1H3
InChIKeyRNUOEPUQJXRXBA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.15
Rot. Bonds4

About ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate

ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate (PubChem CID 103715635) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate
PubChem CID103715635
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N1CC2CCC(C1)O2
InChIInChI=1S/C16H21NO3/c1-2-19-16(18)15(12-6-4-3-5-7-12)17-10-13-8-9-14(11-17)20-13/h3-7,13-15H,2,8-11H2,1H3
InChIKeyRNUOEPUQJXRXBA-UHFFFAOYSA-N
XLogP2.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid
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(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
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propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
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ethyl 2-(2-ethylazepan-1-yl)-2-phenylacetate
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2-phenyl-2-(3-propylazetidin-1-yl)acetic acid
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CID 135312522

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate?
The IUPAC name of ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate (CID 103715635) is ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate?
The canonical SMILES for ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate is CCOC(=O)C(c1ccccc1)N1CC2CCC(C1)O2.
What is the InChIKey of ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate?
The InChIKey is RNUOEPUQJXRXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-19-16(18)15(12-6-4-3-5-7-12)17-10-13-8-9-14(11-17)20-13/h3-7,13-15H,2,8-11H2,1H3.
What are the key properties of ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate?
ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate has a molecular weight of 275.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate is sourced from PubChem (CID 103715635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).