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

C15H30N2O2 — CID 113418587

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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Related Compounds

ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165779
ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 64582135
ethyl 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63971227
ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate
CID 62778005
ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
CID 113418606
methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63165821
ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910733
methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62089716
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide
CID 55158563
ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate
CID 102966305
ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910147
ethyl 2-(3-tert-butylpiperidin-1-yl)acetate
CID 176945818

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).