benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate

C21H27NO5 — CID 146163468

IUPACbenzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate
SMILESCOC(=O)CC1CCCCC12CCCN(C(=O)OCc1ccccc1)C2=O
InChIInChI=1S/C21H27NO5/c1-26-18(23)14-17-10-5-6-11-21(17)12-7-13-22(19(21)24)20(25)27-15-16-8-3-2-4-9-16/h2-4,8-9,17H,5-7,10-15H2,1H3
InChIKeyBBEFNKFMCAXDCX-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.69
Rot. Bonds4

About benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate

benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate (PubChem CID 146163468) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate.

Molecular Properties

Compound Namebenzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate
PubChem CID146163468
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Namebenzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate
SMILESCOC(=O)CC1CCCCC12CCCN(C(=O)OCc1ccccc1)C2=O
InChIInChI=1S/C21H27NO5/c1-26-18(23)14-17-10-5-6-11-21(17)12-7-13-22(19(21)24)20(25)27-15-16-8-3-2-4-9-16/h2-4,8-9,17H,5-7,10-15H2,1H3
InChIKeyBBEFNKFMCAXDCX-UHFFFAOYSA-N
XLogP3.69
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate?
The IUPAC name of benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate (CID 146163468) is benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate.
What is the SMILES notation for benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate?
The canonical SMILES for benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate is COC(=O)CC1CCCCC12CCCN(C(=O)OCc1ccccc1)C2=O.
What is the InChIKey of benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate?
The InChIKey is BBEFNKFMCAXDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-26-18(23)14-17-10-5-6-11-21(17)12-7-13-22(19(21)24)20(25)27-15-16-8-3-2-4-9-16/h2-4,8-9,17H,5-7,10-15H2,1H3.
What are the key properties of benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate?
benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 11-(2-methoxy-2-oxoethyl)-1-oxo-2-azaspiro[5.5]undecane-2-carboxylate is sourced from PubChem (CID 146163468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).