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

C13H26N2O3 — CID 64583946

IUPACmethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
SMILESCCCNC(CN1CCC(COC)C1)C(=O)OC
InChIInChI=1S/C13H26N2O3/c1-4-6-14-12(13(16)18-3)9-15-7-5-11(8-15)10-17-2/h11-12,14H,4-10H2,1-3H3
InChIKeyIGVXFMXLFMSGOE-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.50
Rot. Bonds8

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

methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate (PubChem CID 64583946) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
PubChem CID64583946
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
SMILESCCCNC(CN1CCC(COC)C1)C(=O)OC
InChIInChI=1S/C13H26N2O3/c1-4-6-14-12(13(16)18-3)9-15-7-5-11(8-15)10-17-2/h11-12,14H,4-10H2,1-3H3
InChIKeyIGVXFMXLFMSGOE-UHFFFAOYSA-N
XLogP0.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
CID 64582141
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate
CID 79183530
N-[1-cyclopentyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]propan-1-amine
CID 104746508
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate
CID 62089886
4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide
CID 106588626
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(propylamino)propanoate
CID 63633851
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
methyl 4-(4-methoxypiperidin-1-yl)-2-(propylamino)butanoate
CID 63029608
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)propanamide
CID 64581749

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate?
The IUPAC name of methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate (CID 64583946) is methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate.
What is the SMILES notation for methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate?
The canonical SMILES for methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate is CCCNC(CN1CCC(COC)C1)C(=O)OC.
What is the InChIKey of methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate?
The InChIKey is IGVXFMXLFMSGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-6-14-12(13(16)18-3)9-15-7-5-11(8-15)10-17-2/h11-12,14H,4-10H2,1-3H3.
What are the key properties of methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate?
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate has a molecular weight of 258.36 g/mol, XLogP of 0.50, 8 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-(propylamino)propanoate is sourced from PubChem (CID 64583946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).