benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate

C15H19NO4 — CID 155010359

IUPACbenzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate
SMILESO=C(OCc1ccccc1)N1CCOC2(CC(O)C2)C1
InChIInChI=1S/C15H19NO4/c17-13-8-15(9-13)11-16(6-7-20-15)14(18)19-10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2
InChIKeyMLYDZACUMWNCGW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.55
Rot. Bonds2

About benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate

benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate (PubChem CID 155010359) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate.

Molecular Properties

Compound Namebenzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate
PubChem CID155010359
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namebenzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate
SMILESO=C(OCc1ccccc1)N1CCOC2(CC(O)C2)C1
InChIInChI=1S/C15H19NO4/c17-13-8-15(9-13)11-16(6-7-20-15)14(18)19-10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2
InChIKeyMLYDZACUMWNCGW-UHFFFAOYSA-N
XLogP1.55
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066
benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
CID 71649497
benzyl 2-fluoro-2-formylmorpholine-4-carboxylate
CID 137422513
4-O-benzyl 9-O-tert-butyl 10,10-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate
CID 166543255
benzyl (4S)-1-oxa-7-azaspiro[3.4]octane-7-carboxylate;methanol;(4S)-1-oxa-7-azaspiro[3.4]octane
CID 157316981
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294914
benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294909
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (6R,7R)-6,7-dihydroxy-1,4-oxazocane-4-carboxylate
CID 122547436
benzyl 2-(chloromethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 130138285
benzyl aziridine-1-carboxylate;silane
CID 158496499

Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate?
The IUPAC name of benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate (CID 155010359) is benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate.
What is the SMILES notation for benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate?
The canonical SMILES for benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate is O=C(OCc1ccccc1)N1CCOC2(CC(O)C2)C1.
What is the InChIKey of benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate?
The InChIKey is MLYDZACUMWNCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-13-8-15(9-13)11-16(6-7-20-15)14(18)19-10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2.
What are the key properties of benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate?
benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxy-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate is sourced from PubChem (CID 155010359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).