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

C7H16N2O2 — CID 58164948

IUPACmethyl 3-[2-aminoethyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)CCN
InChIInChI=1S/C7H16N2O2/c1-9(6-4-8)5-3-7(10)11-2/h3-6,8H2,1-2H3
InChIKeySSLRNBALWRHETJ-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.56
Rot. Bonds5

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

methyl 3-[2-aminoethyl(methyl)amino]propanoate (PubChem CID 58164948) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is methyl 3-[2-aminoethyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-aminoethyl(methyl)amino]propanoate
PubChem CID58164948
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Namemethyl 3-[2-aminoethyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)CCN
InChIInChI=1S/C7H16N2O2/c1-9(6-4-8)5-3-7(10)11-2/h3-6,8H2,1-2H3
InChIKeySSLRNBALWRHETJ-UHFFFAOYSA-N
XLogP-0.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.56
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(methyl)amino]propanoate?
The IUPAC name of methyl 3-[2-aminoethyl(methyl)amino]propanoate (CID 58164948) is methyl 3-[2-aminoethyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-aminoethyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-aminoethyl(methyl)amino]propanoate is COC(=O)CCN(C)CCN.
What is the InChIKey of methyl 3-[2-aminoethyl(methyl)amino]propanoate?
The InChIKey is SSLRNBALWRHETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-9(6-4-8)5-3-7(10)11-2/h3-6,8H2,1-2H3.
What are the key properties of methyl 3-[2-aminoethyl(methyl)amino]propanoate?
methyl 3-[2-aminoethyl(methyl)amino]propanoate has a molecular weight of 160.22 g/mol, XLogP of -0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-aminoethyl(methyl)amino]propanoate is sourced from PubChem (CID 58164948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).