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Ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate

C15H30N2O2 — CID 113418587

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
SMILESCCOC(=O)C(C)(CN1CCC(C(C)(C)C)C1)NC
InChIInChI=1S/C15H30N2O2/c1-7-19-13(18)15(5,16-6)11-17-9-8-12(10-17)14(2,3)4/h12,16H,7-11H2,1-6H3
InChIKeyLJLILCORRCLVOC-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.90
Rot. Bonds5

About Ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate

Ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate (PubChem CID 113418587) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound NameEthyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
PubChem CID113418587
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
SMILESCCOC(=O)C(C)(CN1CCC(C(C)(C)C)C1)NC
InChIInChI=1S/C15H30N2O2/c1-7-19-13(18)15(5,16-6)11-17-9-8-12(10-17)14(2,3)4/h12,16H,7-11H2,1-6H3
InChIKeyLJLILCORRCLVOC-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate?
The IUPAC name of Ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate (CID 113418587) is ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for Ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate?
The canonical SMILES for Ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate is CCOC(=O)C(C)(CN1CCC(C(C)(C)C)C1)NC.
What is the InChIKey of Ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate?
The InChIKey is LJLILCORRCLVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-7-19-13(18)15(5,16-6)11-17-9-8-12(10-17)14(2,3)4/h12,16H,7-11H2,1-6H3.
What are the key properties of Ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate?
Ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate has a molecular weight of 270.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 113418587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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