methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate

C13H22N2O5 — CID 79317164

IUPACmethyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate
SMILESCOC(=O)C(CN1CCC2(CC1)OCCO2)NC(C)=O
InChIInChI=1S/C13H22N2O5/c1-10(16)14-11(12(17)18-2)9-15-5-3-13(4-6-15)19-7-8-20-13/h11H,3-9H2,1-2H3,(H,14,16)
InChIKeyUCNSZRGEGBEUSX-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.50
Rot. Bonds4

About methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate

methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate (PubChem CID 79317164) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate
PubChem CID79317164
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Namemethyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate
SMILESCOC(=O)C(CN1CCC2(CC1)OCCO2)NC(C)=O
InChIInChI=1S/C13H22N2O5/c1-10(16)14-11(12(17)18-2)9-15-5-3-13(4-6-15)19-7-8-20-13/h11H,3-9H2,1-2H3,(H,14,16)
InChIKeyUCNSZRGEGBEUSX-UHFFFAOYSA-N
XLogP-0.50
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate?
The IUPAC name of methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate (CID 79317164) is methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate is COC(=O)C(CN1CCC2(CC1)OCCO2)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate?
The InChIKey is UCNSZRGEGBEUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-10(16)14-11(12(17)18-2)9-15-5-3-13(4-6-15)19-7-8-20-13/h11H,3-9H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate?
methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate has a molecular weight of 286.33 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoate is sourced from PubChem (CID 79317164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).