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

C14H22N2O5 — CID 126527271

IUPAC2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESC=CCOC(=O)N(C)C1CCC2(CCN(C(=O)O)CC2)O1
InChIInChI=1S/C14H22N2O5/c1-3-10-20-13(19)15(2)11-4-5-14(21-11)6-8-16(9-7-14)12(17)18/h3,11H,1,4-10H2,2H3,(H,17,18)
InChIKeyKMLWEKSIEVDVIR-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.89
Rot. Bonds3

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

2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 126527271) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID126527271
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESC=CCOC(=O)N(C)C1CCC2(CCN(C(=O)O)CC2)O1
InChIInChI=1S/C14H22N2O5/c1-3-10-20-13(19)15(2)11-4-5-14(21-11)6-8-16(9-7-14)12(17)18/h3,11H,1,4-10H2,2H3,(H,17,18)
InChIKeyKMLWEKSIEVDVIR-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 126527271) is 2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is C=CCOC(=O)N(C)C1CCC2(CCN(C(=O)O)CC2)O1.
What is the InChIKey of 2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is KMLWEKSIEVDVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-3-10-20-13(19)15(2)11-4-5-14(21-11)6-8-16(9-7-14)12(17)18/h3,11H,1,4-10H2,2H3,(H,17,18).
What are the key properties of 2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
2-[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 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 126527271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).