methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate

C13H25NO4 — CID 78959557

IUPACmethyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-13(2,3)10-11(15)14(8-9-17-4)7-6-12(16)18-5/h6-10H2,1-5H3
InChIKeyZSRRHIVLXPWGJG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.46
Rot. Bonds7

About methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate

methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate (PubChem CID 78959557) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
PubChem CID78959557
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namemethyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-13(2,3)10-11(15)14(8-9-17-4)7-6-12(16)18-5/h6-10H2,1-5H3
InChIKeyZSRRHIVLXPWGJG-UHFFFAOYSA-N
XLogP1.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 76994029
methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate
CID 78958993
methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate
CID 78958925
methyl 3-[2-methoxyethyl(octanoyl)amino]propanoate
CID 78959043
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
CID 78959098
methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate
CID 115534206
methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate
CID 61010157
methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate
CID 115536395
methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 78959559
methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate
CID 78959054
methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate
CID 115535566

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate (CID 78959557) is methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)CC(C)(C)C.
What is the InChIKey of methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate?
The InChIKey is ZSRRHIVLXPWGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(2,3)10-11(15)14(8-9-17-4)7-6-12(16)18-5/h6-10H2,1-5H3.
What are the key properties of methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate?
methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate has a molecular weight of 259.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78959557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).