methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate

C13H26N2O4 — CID 103538112

IUPACmethyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CN1CC(OC)C(OC)C1)C(=O)OC
InChIInChI=1S/C13H26N2O4/c1-6-14-13(2,12(16)19-5)9-15-7-10(17-3)11(8-15)18-4/h10-11,14H,6-9H2,1-5H3
InChIKeyYZYKNWBHMCFLCN-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.13
Rot. Bonds7

About methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate

methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate (PubChem CID 103538112) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate
PubChem CID103538112
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Namemethyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CN1CC(OC)C(OC)C1)C(=O)OC
InChIInChI=1S/C13H26N2O4/c1-6-14-13(2,12(16)19-5)9-15-7-10(17-3)11(8-15)18-4/h10-11,14H,6-9H2,1-5H3
InChIKeyYZYKNWBHMCFLCN-UHFFFAOYSA-N
XLogP-0.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate
CID 55128192
Methyl 3-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)propanoate
CID 55141665
Ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate
CID 55160680
Methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanoate
CID 55160681
Ethyl 2-methyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
CID 55161674
Methyl 2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
CID 55162450
Methyl 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 55172017
Methyl 3-[bis(2-methoxyethyl)amino]-2-methyl-2-(methylamino)propanoate
CID 61904038
Ethyl 3-[bis(2-methoxyethyl)amino]-2-methyl-2-(methylamino)propanoate
CID 61904239
Methyl 3-[bis(2-methoxyethyl)amino]-2-(ethylamino)-2-methylpropanoate
CID 61904241
Methyl 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methyl-2-(methylamino)propanoate
CID 61904245
Methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methyl-2-(methylamino)propanoate
CID 61904410

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate?
The IUPAC name of methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate (CID 103538112) is methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate is CCNC(C)(CN1CC(OC)C(OC)C1)C(=O)OC.
What is the InChIKey of methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate?
The InChIKey is YZYKNWBHMCFLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-6-14-13(2,12(16)19-5)9-15-7-10(17-3)11(8-15)18-4/h10-11,14H,6-9H2,1-5H3.
What are the key properties of methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate?
methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate has a molecular weight of 274.36 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 103538112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).