ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C11H19NO3 — CID 73110477

IUPACethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC(CO)C2
InChIInChI=1S/C11H19NO3/c1-2-15-11(14)12-9-3-4-10(12)6-8(5-9)7-13/h8-10,13H,2-7H2,1H3
InChIKeyOKMSDAJWJQUBIW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.38
Rot. Bonds2

About ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 73110477) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID73110477
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC(CO)C2
InChIInChI=1S/C11H19NO3/c1-2-15-11(14)12-9-3-4-10(12)6-8(5-9)7-13/h8-10,13H,2-7H2,1H3
InChIKeyOKMSDAJWJQUBIW-UHFFFAOYSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70658238
ethyl 3-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748293
ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748295
tert-butyl (1R,5R)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98043302
8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 22958903
benzyl (1S,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98043315
9H-fluoren-9-ylmethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937278
ethyl 3-[ethyl(methoxy)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 166890393
butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 175819768
benzyl 3-(hydroxymethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937282
ethyl 2-ethynyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 87901165
ethyl 3-hydroxyimino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58346840

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 73110477) is ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is CCOC(=O)N1C2CCC1CC(CO)C2.
What is the InChIKey of ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is OKMSDAJWJQUBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-15-11(14)12-9-3-4-10(12)6-8(5-9)7-13/h8-10,13H,2-7H2,1H3.
What are the key properties of ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 73110477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).