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

C15H22N2O4 — CID 63919318

IUPACethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1C(=O)CCC1=O)(NC1CC1)C1CC1
InChIInChI=1S/C15H22N2O4/c1-2-21-14(20)15(10-3-4-10,16-11-5-6-11)9-17-12(18)7-8-13(17)19/h10-11,16H,2-9H2,1H3
InChIKeyWBTXWEAGTJZOEI-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.60
Rot. Bonds7

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

ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate (PubChem CID 63919318) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate
PubChem CID63919318
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1C(=O)CCC1=O)(NC1CC1)C1CC1
InChIInChI=1S/C15H22N2O4/c1-2-21-14(20)15(10-3-4-10,16-11-5-6-11)9-17-12(18)7-8-13(17)19/h10-11,16H,2-9H2,1H3
InChIKeyWBTXWEAGTJZOEI-UHFFFAOYSA-N
XLogP0.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
CID 79177875
ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63910370
ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63921670
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63920831
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(ethyl)amino]propanoate
CID 63911878
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-pyrimidin-2-ylsulfanylpropanoate
CID 63915943
ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63927639
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate
CID 63920321
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)propanoate
CID 79670094
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2-methylpropyl)amino]propanoate
CID 63906222
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 63917079
ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate
CID 65301588

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate (CID 63919318) is ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate is CCOC(=O)C(CN1C(=O)CCC1=O)(NC1CC1)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate?
The InChIKey is WBTXWEAGTJZOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-21-14(20)15(10-3-4-10,16-11-5-6-11)9-17-12(18)7-8-13(17)19/h10-11,16H,2-9H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate?
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate has a molecular weight of 294.35 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate is sourced from PubChem (CID 63919318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).