methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride

C13H21ClN2O5 — CID 45260772

IUPACmethyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride
SMILESCOC(=O)CCCN1C(=O)OC2(CCN(C)CC2)C1=O.Cl
InChIInChI=1S/C13H20N2O5.ClH/c1-14-8-5-13(6-9-14)11(17)15(12(18)20-13)7-3-4-10(16)19-2;/h3-9H2,1-2H3;1H
InChIKeyGIYLLQPOLCVFCR-UHFFFAOYSA-N
MW320.77 g/mol
LogP0.80
Rot. Bonds4

About methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride

methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride (PubChem CID 45260772) has the molecular formula C13H21ClN2O5 and a molecular weight of 320.77 g/mol. Its IUPAC name is methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride
PubChem CID45260772
Molecular FormulaC13H21ClN2O5
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC Namemethyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride
SMILESCOC(=O)CCCN1C(=O)OC2(CCN(C)CC2)C1=O.Cl
InChIInChI=1S/C13H20N2O5.ClH/c1-14-8-5-13(6-9-14)11(17)15(12(18)20-13)7-3-4-10(16)19-2;/h3-9H2,1-2H3;1H
InChIKeyGIYLLQPOLCVFCR-UHFFFAOYSA-N
XLogP0.80
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride?
The IUPAC name of methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride (CID 45260772) is methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride.
What is the SMILES notation for methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride?
The canonical SMILES for methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride is COC(=O)CCCN1C(=O)OC2(CCN(C)CC2)C1=O.Cl.
What is the InChIKey of methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride?
The InChIKey is GIYLLQPOLCVFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5.ClH/c1-14-8-5-13(6-9-14)11(17)15(12(18)20-13)7-3-4-10(16)19-2;/h3-9H2,1-2H3;1H.
What are the key properties of methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride?
methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride has a molecular weight of 320.77 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride is sourced from PubChem (CID 45260772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).