methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate

C13H25NO4 — CID 78959268

IUPACmethyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate
SMILESCCCC(C)C(=O)N(CCOC)CCC(=O)OC
InChIInChI=1S/C13H25NO4/c1-5-6-11(2)13(16)14(9-10-17-3)8-7-12(15)18-4/h11H,5-10H2,1-4H3
InChIKeyISEXFHXQITVBCL-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.46
Rot. Bonds9

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

methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate (PubChem CID 78959268) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate
PubChem CID78959268
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namemethyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate
SMILESCCCC(C)C(=O)N(CCOC)CCC(=O)OC
InChIInChI=1S/C13H25NO4/c1-5-6-11(2)13(16)14(9-10-17-3)8-7-12(15)18-4/h11H,5-10H2,1-4H3
InChIKeyISEXFHXQITVBCL-UHFFFAOYSA-N
XLogP1.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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

methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate
CID 115534206
methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate
CID 115535566
methyl 3-[(3-amino-2-methyl-3-sulfanylidenepropanoyl)-(2-methoxyethyl)amino]propanoate
CID 113330524
methyl 3-[2-cyanobutanoyl(2-methoxyethyl)amino]propanoate
CID 113330459
methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964716
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
CID 78959098
methyl 3-[2-methoxyethyl(octanoyl)amino]propanoate
CID 78959043
N,N-dibutyl-2-methylpentanamide
CID 2904869
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate
CID 78958993
methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
methyl 3-[(2-chloro-2-phenylacetyl)-(2-methoxyethyl)amino]propanoate
CID 115534215

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate (CID 78959268) is methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate is CCCC(C)C(=O)N(CCOC)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate?
The InChIKey is ISEXFHXQITVBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-6-11(2)13(16)14(9-10-17-3)8-7-12(15)18-4/h11H,5-10H2,1-4H3.
What are the key properties of methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate?
methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate has a molecular weight of 259.35 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate is sourced from PubChem (CID 78959268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).