ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate

C15H30N2O2 — CID 113418606

IUPACethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN1CCC(C(C)(C)C)C1)NC
InChIInChI=1S/C15H30N2O2/c1-6-19-14(18)13(16-5)8-10-17-9-7-12(11-17)15(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeyCZWHYXREWKAECE-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.90
Rot. Bonds6

About ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate

ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate (PubChem CID 113418606) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
PubChem CID113418606
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN1CCC(C(C)(C)C)C1)NC
InChIInChI=1S/C15H30N2O2/c1-6-19-14(18)13(16-5)8-10-17-9-7-12(11-17)15(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeyCZWHYXREWKAECE-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate (CID 113418606) is ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate is CCOC(=O)C(CCN1CCC(C(C)(C)C)C1)NC.
What is the InChIKey of ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate?
The InChIKey is CZWHYXREWKAECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-19-14(18)13(16-5)8-10-17-9-7-12(11-17)15(2,3)4/h12-13,16H,6-11H2,1-5H3.
What are the key properties of ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate?
ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate has a molecular weight of 270.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate is sourced from PubChem (CID 113418606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).