methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate

C12H25NO4 — CID 103411947

IUPACmethyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate
SMILESCCCN(CCCOCCOC)CC(=O)OC
InChIInChI=1S/C12H25NO4/c1-4-6-13(11-12(14)16-3)7-5-8-17-10-9-15-2/h4-11H2,1-3H3
InChIKeyNJGBABGNISPRTL-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.92
Rot. Bonds11

About methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate

methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate (PubChem CID 103411947) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate
PubChem CID103411947
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Namemethyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate
SMILESCCCN(CCCOCCOC)CC(=O)OC
InChIInChI=1S/C12H25NO4/c1-4-6-13(11-12(14)16-3)7-5-8-17-10-9-15-2/h4-11H2,1-3H3
InChIKeyNJGBABGNISPRTL-UHFFFAOYSA-N
XLogP0.92
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid
CID 103410839
methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate
CID 62013681
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
N'-[3-(2-methoxyethoxy)propyl]-N'-propylethane-1,2-diamine
CID 103409202
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
CID 106456115
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
N-(2-chloroethyl)-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 103412998
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
CID 62011552
2-[3-ethoxypropyl(propyl)amino]acetic acid
CID 65180824
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate?
The IUPAC name of methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate (CID 103411947) is methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate?
The canonical SMILES for methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate is CCCN(CCCOCCOC)CC(=O)OC.
What is the InChIKey of methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate?
The InChIKey is NJGBABGNISPRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-4-6-13(11-12(14)16-3)7-5-8-17-10-9-15-2/h4-11H2,1-3H3.
What are the key properties of methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate?
methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate has a molecular weight of 247.33 g/mol, XLogP of 0.92, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate is sourced from PubChem (CID 103411947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).