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

C11H22N2O3 — CID 64582141

IUPACmethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
SMILESCNC(CN1CCC(COC)C1)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-12-10(11(14)16-3)7-13-5-4-9(6-13)8-15-2/h9-10,12H,4-8H2,1-3H3
InChIKeyCXXBFQNIJPLINB-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.28
Rot. Bonds6

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

methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate (PubChem CID 64582141) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
PubChem CID64582141
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
SMILESCNC(CN1CCC(COC)C1)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-12-10(11(14)16-3)7-13-5-4-9(6-13)8-15-2/h9-10,12H,4-8H2,1-3H3
InChIKeyCXXBFQNIJPLINB-UHFFFAOYSA-N
XLogP-0.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
methyl 2-acetamido-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112626135
methyl 2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63623762
methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63971806
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide
CID 63972759
3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide
CID 103538030
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propanoic acid
CID 80995914

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate?
The IUPAC name of methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate (CID 64582141) is methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate is CNC(CN1CCC(COC)C1)C(=O)OC.
What is the InChIKey of methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate?
The InChIKey is CXXBFQNIJPLINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-12-10(11(14)16-3)7-13-5-4-9(6-13)8-15-2/h9-10,12H,4-8H2,1-3H3.
What are the key properties of methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate?
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate has a molecular weight of 230.31 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate is sourced from PubChem (CID 64582141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).