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

C9H20N2O2 — CID 58105419

IUPACmethyl 3-[2-aminoethyl(propyl)amino]propanoate
SMILESCCCN(CCN)CCC(=O)OC
InChIInChI=1S/C9H20N2O2/c1-3-6-11(8-5-10)7-4-9(12)13-2/h3-8,10H2,1-2H3
InChIKeyCLNOQYRFFJNGDE-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.22
Rot. Bonds7

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

methyl 3-[2-aminoethyl(propyl)amino]propanoate (PubChem CID 58105419) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 3-[2-aminoethyl(propyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-aminoethyl(propyl)amino]propanoate
PubChem CID58105419
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Namemethyl 3-[2-aminoethyl(propyl)amino]propanoate
SMILESCCCN(CCN)CCC(=O)OC
InChIInChI=1S/C9H20N2O2/c1-3-6-11(8-5-10)7-4-9(12)13-2/h3-8,10H2,1-2H3
InChIKeyCLNOQYRFFJNGDE-UHFFFAOYSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.22
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(propyl)amino]propanoate?
The IUPAC name of methyl 3-[2-aminoethyl(propyl)amino]propanoate (CID 58105419) is methyl 3-[2-aminoethyl(propyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-aminoethyl(propyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-aminoethyl(propyl)amino]propanoate is CCCN(CCN)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-aminoethyl(propyl)amino]propanoate?
The InChIKey is CLNOQYRFFJNGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-6-11(8-5-10)7-4-9(12)13-2/h3-8,10H2,1-2H3.
What are the key properties of methyl 3-[2-aminoethyl(propyl)amino]propanoate?
methyl 3-[2-aminoethyl(propyl)amino]propanoate has a molecular weight of 188.27 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-aminoethyl(propyl)amino]propanoate is sourced from PubChem (CID 58105419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).