6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

C14H22N2O5 — CID 126527274

IUPAC6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESC=CCOC(=O)N(C)C1CN(C(=O)O)CCC12CCCO2
InChIInChI=1S/C14H22N2O5/c1-3-8-20-13(19)15(2)11-10-16(12(17)18)7-6-14(11)5-4-9-21-14/h3,11H,1,4-10H2,2H3,(H,17,18)
InChIKeyZLOWMFDOFVBQME-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.54
Rot. Bonds3

About 6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 126527274) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID126527274
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESC=CCOC(=O)N(C)C1CN(C(=O)O)CCC12CCCO2
InChIInChI=1S/C14H22N2O5/c1-3-8-20-13(19)15(2)11-10-16(12(17)18)7-6-14(11)5-4-9-21-14/h3,11H,1,4-10H2,2H3,(H,17,18)
InChIKeyZLOWMFDOFVBQME-UHFFFAOYSA-N
XLogP1.54
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 126527274) is 6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is C=CCOC(=O)N(C)C1CN(C(=O)O)CCC12CCCO2.
What is the InChIKey of 6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is ZLOWMFDOFVBQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-3-8-20-13(19)15(2)11-10-16(12(17)18)7-6-14(11)5-4-9-21-14/h3,11H,1,4-10H2,2H3,(H,17,18).
What are the key properties of 6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 126527274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).