benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate

C16H21NO4 — CID 171937034

IUPACbenzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate
SMILESO=C(OCc1ccccc1)N1C2CCC(O)CC1COC2
InChIInChI=1S/C16H21NO4/c18-15-7-6-13-10-20-11-14(8-15)17(13)16(19)21-9-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2
InChIKeyWFYGRPSPHSRNPE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.94
Rot. Bonds2

About benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate

benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate (PubChem CID 171937034) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate.

Molecular Properties

Compound Namebenzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate
PubChem CID171937034
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namebenzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate
SMILESO=C(OCc1ccccc1)N1C2CCC(O)CC1COC2
InChIInChI=1S/C16H21NO4/c18-15-7-6-13-10-20-11-14(8-15)17(13)16(19)21-9-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2
InChIKeyWFYGRPSPHSRNPE-UHFFFAOYSA-N
XLogP1.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (1R,5S)-7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 135396085
benzyl 7-carbamoyl-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171936378
benzyl 7-propyl-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171951286
benzyl 7-(3-methylbut-2-enoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938328
benzyl 7-(4-phenylmethoxybutanoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949183
benzyl 7-(4-methylpent-3-enoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938643
benzyl 7-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937213
benzyl 7-(2-fluorobenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950958
benzyl 7-(adamantane-2-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171941606
benzyl 7-(2-methylbut-2-enoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938281
benzyl (1S,2S,4R)-2-hydroxy-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10610494
benzyl 3-(phenylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171936899

Frequently Asked Questions

What is the IUPAC name of benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate?
The IUPAC name of benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate (CID 171937034) is benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate.
What is the SMILES notation for benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate?
The canonical SMILES for benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate is O=C(OCc1ccccc1)N1C2CCC(O)CC1COC2.
What is the InChIKey of benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate?
The InChIKey is WFYGRPSPHSRNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15-7-6-13-10-20-11-14(8-15)17(13)16(19)21-9-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2.
What are the key properties of benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate?
benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-hydroxy-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate is sourced from PubChem (CID 171937034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).