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

C14H23ClN2O5 — CID 45260766

IUPACmethyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride
SMILESCCN1C(=O)OC2(CCN(CCCC(=O)OC)CC2)C1=O.Cl
InChIInChI=1S/C14H22N2O5.ClH/c1-3-16-12(18)14(21-13(16)19)6-9-15(10-7-14)8-4-5-11(17)20-2;/h3-10H2,1-2H3;1H
InChIKeyMJIPZYGCPGVFLV-UHFFFAOYSA-N
MW334.80 g/mol
LogP1.19
Rot. Bonds5

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

methyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride (PubChem CID 45260766) has the molecular formula C14H23ClN2O5 and a molecular weight of 334.80 g/mol. Its IUPAC name is methyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride
PubChem CID45260766
Molecular FormulaC14H23ClN2O5
Molecular Weight334.80 g/mol
Exact Mass334.13
IUPAC Namemethyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride
SMILESCCN1C(=O)OC2(CCN(CCCC(=O)OC)CC2)C1=O.Cl
InChIInChI=1S/C14H22N2O5.ClH/c1-3-16-12(18)14(21-13(16)19)6-9-15(10-7-14)8-4-5-11(17)20-2;/h3-10H2,1-2H3;1H
InChIKeyMJIPZYGCPGVFLV-UHFFFAOYSA-N
XLogP1.19
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride?
The IUPAC name of methyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride (CID 45260766) is methyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride.
What is the SMILES notation for methyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride?
The canonical SMILES for methyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride is CCN1C(=O)OC2(CCN(CCCC(=O)OC)CC2)C1=O.Cl.
What is the InChIKey of methyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride?
The InChIKey is MJIPZYGCPGVFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5.ClH/c1-3-16-12(18)14(21-13(16)19)6-9-15(10-7-14)8-4-5-11(17)20-2;/h3-10H2,1-2H3;1H.
What are the key properties of methyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride?
methyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride has a molecular weight of 334.80 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride is sourced from PubChem (CID 45260766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).