hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate

C9H17N3O3 — CID 66371826

IUPAChydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
SMILESNNOC(=O)CCN1CC2CCC(C1)O2
InChIInChI=1S/C9H17N3O3/c10-11-15-9(13)3-4-12-5-7-1-2-8(6-12)14-7/h7-8,11H,1-6,10H2
InChIKeyHTAVPOUUSYWDLA-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.84
Rot. Bonds4

About hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate

hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate (PubChem CID 66371826) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
PubChem CID66371826
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Namehydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
SMILESNNOC(=O)CCN1CC2CCC(C1)O2
InChIInChI=1S/C9H17N3O3/c10-11-15-9(13)3-4-12-5-7-1-2-8(6-12)14-7/h7-8,11H,1-6,10H2
InChIKeyHTAVPOUUSYWDLA-UHFFFAOYSA-N
XLogP-0.84
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate with MolForge

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Related Compounds

Hydrazinyl 3-[ethyl(oxolan-2-ylmethyl)amino]propanoate
CID 66337856
Hydrazinyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate
CID 66338962
Ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
CID 66391161
Methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
CID 66391355
Methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
CID 66391538
Ethyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
CID 66392145
Ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
CID 66392333
Methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
CID 66392536
Methyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
CID 79619972
Tert-butyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
CID 115667546

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The IUPAC name of hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate (CID 66371826) is hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate is NNOC(=O)CCN1CC2CCC(C1)O2.
What is the InChIKey of hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The InChIKey is HTAVPOUUSYWDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-11-15-9(13)3-4-12-5-7-1-2-8(6-12)14-7/h7-8,11H,1-6,10H2.
What are the key properties of hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate has a molecular weight of 215.25 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate is sourced from PubChem (CID 66371826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).