methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate

C13H27NO3 — CID 82930234

IUPACmethyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
SMILESCCC(CC)CN(CCOC)CCC(=O)OC
InChIInChI=1S/C13H27NO3/c1-5-12(6-2)11-14(9-10-16-3)8-7-13(15)17-4/h12H,5-11H2,1-4H3
InChIKeyWYJBCDPHMBCMSG-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.93
Rot. Bonds10

About methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate

methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate (PubChem CID 82930234) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
PubChem CID82930234
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Namemethyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
SMILESCCC(CC)CN(CCOC)CCC(=O)OC
InChIInChI=1S/C13H27NO3/c1-5-12(6-2)11-14(9-10-16-3)8-7-13(15)17-4/h12H,5-11H2,1-4H3
InChIKeyWYJBCDPHMBCMSG-UHFFFAOYSA-N
XLogP1.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-[2-ethylbutyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 88907395
methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate
CID 115536455
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 78960557
methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate
CID 106992885
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate
CID 78959230
methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate
CID 115281495
methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate
CID 115536395
methyl 2-[2-ethylbutyl(propyl)amino]acetate
CID 78978764
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330797

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate (CID 82930234) is methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate is CCC(CC)CN(CCOC)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate?
The InChIKey is WYJBCDPHMBCMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-12(6-2)11-14(9-10-16-3)8-7-13(15)17-4/h12H,5-11H2,1-4H3.
What are the key properties of methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate?
methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate has a molecular weight of 245.36 g/mol, XLogP of 1.93, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 82930234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).