benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate

C17H21NO6 — CID 46838371

IUPACbenzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
SMILESCOC(=O)CC1N(C(=O)OCc2ccccc2)CCC12OCCO2
InChIInChI=1S/C17H21NO6/c1-21-15(19)11-14-17(23-9-10-24-17)7-8-18(14)16(20)22-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyQRCXVBYIKSLZAV-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.70
Rot. Bonds4

About benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate

benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate (PubChem CID 46838371) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Namebenzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
PubChem CID46838371
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Namebenzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
SMILESCOC(=O)CC1N(C(=O)OCc2ccccc2)CCC12OCCO2
InChIInChI=1S/C17H21NO6/c1-21-15(19)11-14-17(23-9-10-24-17)7-8-18(14)16(20)22-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyQRCXVBYIKSLZAV-UHFFFAOYSA-N
XLogP1.70
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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(3S,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 44351104
Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate
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(r)-1-Benzyl 2-tert-butyl 4-oxopyrrolidine-1,2-dicarboxylate
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7-[4-(Benzyloxy)butanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56916704
2-(1,1-Dimethylethyl) 1-(phenylmethyl) (2S)-1,2-pyrrolidinedicarboxylate
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CID 391522
1-Benzyl 2-tert-butyl pyrrolidine-1,2-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate (CID 46838371) is benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate is COC(=O)CC1N(C(=O)OCc2ccccc2)CCC12OCCO2.
What is the InChIKey of benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate?
The InChIKey is QRCXVBYIKSLZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-21-15(19)11-14-17(23-9-10-24-17)7-8-18(14)16(20)22-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3.
What are the key properties of benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate?
benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-(2-methoxy-2-oxoethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 46838371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).