ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate

C14H22N2O4 — CID 64830819

IUPACethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)(CN1C(=O)C2CC2C1=O)NC(C)C
InChIInChI=1S/C14H22N2O4/c1-5-20-13(19)14(4,15-8(2)3)7-16-11(17)9-6-10(9)12(16)18/h8-10,15H,5-7H2,1-4H3
InChIKeyBHVFFCQBACGLQF-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.31
Rot. Bonds6

About ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate

ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate (PubChem CID 64830819) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate
PubChem CID64830819
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)(CN1C(=O)C2CC2C1=O)NC(C)C
InChIInChI=1S/C14H22N2O4/c1-5-20-13(19)14(4,15-8(2)3)7-16-11(17)9-6-10(9)12(16)18/h8-10,15H,5-7H2,1-4H3
InChIKeyBHVFFCQBACGLQF-UHFFFAOYSA-N
XLogP0.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate 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-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 79184771
ethyl 3-(4,5-diiodoimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 114272499
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid
CID 64835701
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
3-(2-hydroxy-2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834936
ethyl 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64705146
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
CID 62384132
ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate
CID 63864336
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204438
ethyl 5-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204394
ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66323112
2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile
CID 64836840

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate (CID 64830819) is ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate is CCOC(=O)C(C)(CN1C(=O)C2CC2C1=O)NC(C)C.
What is the InChIKey of ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate?
The InChIKey is BHVFFCQBACGLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-20-13(19)14(4,15-8(2)3)7-16-11(17)9-6-10(9)12(16)18/h8-10,15H,5-7H2,1-4H3.
What are the key properties of ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate?
ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate has a molecular weight of 282.34 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 64830819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).