methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate

C12H25NO4 — CID 79407883

IUPACmethyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate
SMILESCOCCN(CCOC)C(C)C(C)C(=O)OC
InChIInChI=1S/C12H25NO4/c1-10(12(14)17-5)11(2)13(6-8-15-3)7-9-16-4/h10-11H,6-9H2,1-5H3
InChIKeyCTCICRYHYQGLPG-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.78
Rot. Bonds9

About methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate

methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate (PubChem CID 79407883) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate
PubChem CID79407883
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Namemethyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate
SMILESCOCCN(CCOC)C(C)C(C)C(=O)OC
InChIInChI=1S/C12H25NO4/c1-10(12(14)17-5)11(2)13(6-8-15-3)7-9-16-4/h10-11H,6-9H2,1-5H3
InChIKeyCTCICRYHYQGLPG-UHFFFAOYSA-N
XLogP0.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate?
The IUPAC name of methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate (CID 79407883) is methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate is COCCN(CCOC)C(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate?
The InChIKey is CTCICRYHYQGLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-10(12(14)17-5)11(2)13(6-8-15-3)7-9-16-4/h10-11H,6-9H2,1-5H3.
What are the key properties of methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate?
methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate has a molecular weight of 247.33 g/mol, XLogP of 0.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[bis(2-methoxyethyl)amino]-2-methylbutanoate is sourced from PubChem (CID 79407883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).