ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate

C15H30N2O4 — CID 103538248

IUPACethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CCCN1CC(OC)C(OC)C1)NC
InChIInChI=1S/C15H30N2O4/c1-6-21-14(18)15(2,16-3)8-7-9-17-10-12(19-4)13(11-17)20-5/h12-13,16H,6-11H2,1-5H3
InChIKeyKWROINSMMHOAJI-UHFFFAOYSA-N
MW302.41 g/mol
LogP0.65
Rot. Bonds9

About ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate

ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate (PubChem CID 103538248) has the molecular formula C15H30N2O4 and a molecular weight of 302.41 g/mol. Its IUPAC name is ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
PubChem CID103538248
Molecular FormulaC15H30N2O4
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Nameethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CCCN1CC(OC)C(OC)C1)NC
InChIInChI=1S/C15H30N2O4/c1-6-21-14(18)15(2,16-3)8-7-9-17-10-12(19-4)13(11-17)20-5/h12-13,16H,6-11H2,1-5H3
InChIKeyKWROINSMMHOAJI-UHFFFAOYSA-N
XLogP0.65
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylhexanoate
CID 79177873
ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63635245
ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 63217386
ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate
CID 63165725
ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate
CID 103538059
ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate
CID 104565496
ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62930956
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
CID 64583750
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63159361
methyl 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 79163896
5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 103537872
ethyl 5-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 63856162

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate (CID 103538248) is ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate is CCOC(=O)C(C)(CCCN1CC(OC)C(OC)C1)NC.
What is the InChIKey of ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is KWROINSMMHOAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-6-21-14(18)15(2,16-3)8-7-9-17-10-12(19-4)13(11-17)20-5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate?
ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 302.41 g/mol, XLogP of 0.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 103538248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).