methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate

C11H20N2O4 — CID 54942700

IUPACmethyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)CN(C)C(C)=O
InChIInChI=1S/C11H20N2O4/c1-9(14)13(3)8-10(15)12(2)7-5-6-11(16)17-4/h5-8H2,1-4H3
InChIKeyHTXNAWIYYOQRLA-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.12
Rot. Bonds6

About methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate

methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate (PubChem CID 54942700) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate
PubChem CID54942700
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)CN(C)C(C)=O
InChIInChI=1S/C11H20N2O4/c1-9(14)13(3)8-10(15)12(2)7-5-6-11(16)17-4/h5-8H2,1-4H3
InChIKeyHTXNAWIYYOQRLA-UHFFFAOYSA-N
XLogP-0.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate (CID 54942700) is methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate is COC(=O)CCCN(C)C(=O)CN(C)C(C)=O.
What is the InChIKey of methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate?
The InChIKey is HTXNAWIYYOQRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-9(14)13(3)8-10(15)12(2)7-5-6-11(16)17-4/h5-8H2,1-4H3.
What are the key properties of methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate?
methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate has a molecular weight of 244.29 g/mol, XLogP of -0.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate is sourced from PubChem (CID 54942700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).