methyl 3-[2-aminoethyl(ethyl)amino]propanoate

C8H18N2O2 — CID 63383215

IUPACmethyl 3-[2-aminoethyl(ethyl)amino]propanoate
SMILESCCN(CCN)CCC(=O)OC
InChIInChI=1S/C8H18N2O2/c1-3-10(7-5-9)6-4-8(11)12-2/h3-7,9H2,1-2H3
InChIKeyJJPYEVWOWSTFED-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.17
Rot. Bonds6

About methyl 3-[2-aminoethyl(ethyl)amino]propanoate

methyl 3-[2-aminoethyl(ethyl)amino]propanoate (PubChem CID 63383215) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl 3-[2-aminoethyl(ethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-aminoethyl(ethyl)amino]propanoate
PubChem CID63383215
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namemethyl 3-[2-aminoethyl(ethyl)amino]propanoate
SMILESCCN(CCN)CCC(=O)OC
InChIInChI=1S/C8H18N2O2/c1-3-10(7-5-9)6-4-8(11)12-2/h3-7,9H2,1-2H3
InChIKeyJJPYEVWOWSTFED-UHFFFAOYSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-aminoethyl(ethyl)amino]propanoate?
The IUPAC name of methyl 3-[2-aminoethyl(ethyl)amino]propanoate (CID 63383215) is methyl 3-[2-aminoethyl(ethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-aminoethyl(ethyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-aminoethyl(ethyl)amino]propanoate is CCN(CCN)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-aminoethyl(ethyl)amino]propanoate?
The InChIKey is JJPYEVWOWSTFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-10(7-5-9)6-4-8(11)12-2/h3-7,9H2,1-2H3.
What are the key properties of methyl 3-[2-aminoethyl(ethyl)amino]propanoate?
methyl 3-[2-aminoethyl(ethyl)amino]propanoate has a molecular weight of 174.24 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-aminoethyl(ethyl)amino]propanoate is sourced from PubChem (CID 63383215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).