benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate

C17H21NO4 — CID 165343304

IUPACbenzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
SMILESO=C1CCC2(CCCN(C(=O)OCc3ccccc3)CC2)O1
InChIInChI=1S/C17H21NO4/c19-15-7-9-17(22-15)8-4-11-18(12-10-17)16(20)21-13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKeyBHLVMDMFIIXCPK-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.88
Rot. Bonds2

About benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate

benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate (PubChem CID 165343304) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate.

Molecular Properties

Compound Namebenzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
PubChem CID165343304
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namebenzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
SMILESO=C1CCC2(CCCN(C(=O)OCc3ccccc3)CC2)O1
InChIInChI=1S/C17H21NO4/c19-15-7-9-17(22-15)8-4-11-18(12-10-17)16(20)21-13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKeyBHLVMDMFIIXCPK-UHFFFAOYSA-N
XLogP2.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
CID 71649497
benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-methyl-4-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)piperidine-1-carboxylate
CID 145484662
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-ethyl-4-methyl-5-oxoazocane-1-carboxylate
CID 122548069
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 59305246
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate;benzyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate
CID 167708022
2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
CID 163342503

Frequently Asked Questions

What is the IUPAC name of benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate?
The IUPAC name of benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate (CID 165343304) is benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate.
What is the SMILES notation for benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate?
The canonical SMILES for benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate is O=C1CCC2(CCCN(C(=O)OCc3ccccc3)CC2)O1.
What is the InChIKey of benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate?
The InChIKey is BHLVMDMFIIXCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-15-7-9-17(22-15)8-4-11-18(12-10-17)16(20)21-13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2.
What are the key properties of benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate?
benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate is sourced from PubChem (CID 165343304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).