ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate

C15H24N2O4 — CID 64837571

IUPACethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate
SMILESCCOC(=O)C(C)(CCN1C(=O)C2C(C1=O)C2(C)C)NC
InChIInChI=1S/C15H24N2O4/c1-6-21-13(20)15(4,16-5)7-8-17-11(18)9-10(12(17)19)14(9,2)3/h9-10,16H,6-8H2,1-5H3
InChIKeyXTQRNKWTABLMPT-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.56
Rot. Bonds6

About ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate

ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate (PubChem CID 64837571) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate
PubChem CID64837571
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nameethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate
SMILESCCOC(=O)C(C)(CCN1C(=O)C2C(C1=O)C2(C)C)NC
InChIInChI=1S/C15H24N2O4/c1-6-21-13(20)15(4,16-5)7-8-17-11(18)9-10(12(17)19)14(9,2)3/h9-10,16H,6-8H2,1-5H3
InChIKeyXTQRNKWTABLMPT-UHFFFAOYSA-N
XLogP0.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoate
CID 64835654
ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62930956
methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate
CID 64837033
5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide
CID 64837222
ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63217699
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63159361
ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate
CID 65301636
ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63635245
ethyl 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62129434
ethyl 2-methyl-2-(methylamino)-4-(1,4-oxazepan-4-yl)butanoate
CID 62974767
ethyl 2-amino-3-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoate
CID 64836083
ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 63217386

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate (CID 64837571) is ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate is CCOC(=O)C(C)(CCN1C(=O)C2C(C1=O)C2(C)C)NC.
What is the InChIKey of ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate?
The InChIKey is XTQRNKWTABLMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-6-21-13(20)15(4,16-5)7-8-17-11(18)9-10(12(17)19)14(9,2)3/h9-10,16H,6-8H2,1-5H3.
What are the key properties of ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate?
ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate has a molecular weight of 296.37 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 64837571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).