methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate

C11H22N2O3 — CID 55208405

IUPACmethyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate
SMILESCCN(C)C(=O)CN(C)CCCC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-13(3)10(14)9-12(2)8-6-7-11(15)16-4/h5-9H2,1-4H3
InChIKeyJCRZHMXJBBLRFD-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.35
Rot. Bonds7

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

methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate (PubChem CID 55208405) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate
PubChem CID55208405
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate
SMILESCCN(C)C(=O)CN(C)CCCC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-13(3)10(14)9-12(2)8-6-7-11(15)16-4/h5-9H2,1-4H3
InChIKeyJCRZHMXJBBLRFD-UHFFFAOYSA-N
XLogP0.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate (CID 55208405) is methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate is CCN(C)C(=O)CN(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate?
The InChIKey is JCRZHMXJBBLRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-13(3)10(14)9-12(2)8-6-7-11(15)16-4/h5-9H2,1-4H3.
What are the key properties of methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate?
methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate has a molecular weight of 230.31 g/mol, XLogP of 0.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate is sourced from PubChem (CID 55208405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).