ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate

C13H26N2O3 — CID 64582135

IUPACethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
SMILESCCOC(=O)C(C)(CN1CCC(COC)C1)NC
InChIInChI=1S/C13H26N2O3/c1-5-18-12(16)13(2,14-3)10-15-7-6-11(8-15)9-17-4/h11,14H,5-10H2,1-4H3
InChIKeyJHUDITKBTRGQII-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.50
Rot. Bonds7

About ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate

ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate (PubChem CID 64582135) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
PubChem CID64582135
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
SMILESCCOC(=O)C(C)(CN1CCC(COC)C1)NC
InChIInChI=1S/C13H26N2O3/c1-5-18-12(16)13(2,14-3)10-15-7-6-11(8-15)9-17-4/h11,14H,5-10H2,1-4H3
InChIKeyJHUDITKBTRGQII-UHFFFAOYSA-N
XLogP0.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63971227
ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
CID 113418587
ethyl 2-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 63972573
ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165779
ethyl 2-cyclopropyl-3-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanoate
CID 106588689
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)propanamide
CID 64581749
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
CID 64583750
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 64583347
ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
CID 64581948
methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63165821
methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583947
ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate
CID 62778005

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate?
The IUPAC name of ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate (CID 64582135) is ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate?
The canonical SMILES for ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate is CCOC(=O)C(C)(CN1CCC(COC)C1)NC.
What is the InChIKey of ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate?
The InChIKey is JHUDITKBTRGQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-18-12(16)13(2,14-3)10-15-7-6-11(8-15)9-17-4/h11,14H,5-10H2,1-4H3.
What are the key properties of ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate?
ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate has a molecular weight of 258.36 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 64582135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).