ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate

C14H22N2O4 — CID 65301588

IUPACethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(N)(CN1C(=O)CC(C)(C)C1=O)C1CC1
InChIInChI=1S/C14H22N2O4/c1-4-20-12(19)14(15,9-5-6-9)8-16-10(17)7-13(2,3)11(16)18/h9H,4-8,15H2,1-3H3
InChIKeyYLVMFEITSGXGGP-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.44
Rot. Bonds5

About ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate

ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate (PubChem CID 65301588) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate
PubChem CID65301588
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(N)(CN1C(=O)CC(C)(C)C1=O)C1CC1
InChIInChI=1S/C14H22N2O4/c1-4-20-12(19)14(15,9-5-6-9)8-16-10(17)7-13(2,3)11(16)18/h9H,4-8,15H2,1-3H3
InChIKeyYLVMFEITSGXGGP-UHFFFAOYSA-N
XLogP0.44
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate (CID 65301588) is ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate is CCOC(=O)C(N)(CN1C(=O)CC(C)(C)C1=O)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate?
The InChIKey is YLVMFEITSGXGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-20-12(19)14(15,9-5-6-9)8-16-10(17)7-13(2,3)11(16)18/h9H,4-8,15H2,1-3H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate?
ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate has a molecular weight of 282.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate is sourced from PubChem (CID 65301588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).