methyl 3-[butanoyl(ethyl)amino]propanoate

C10H19NO3 — CID 22758761

IUPACmethyl 3-[butanoyl(ethyl)amino]propanoate
SMILESCCCC(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C10H19NO3/c1-4-6-9(12)11(5-2)8-7-10(13)14-3/h4-8H2,1-3H3
InChIKeyNJJFBAODBJLJSJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.20
Rot. Bonds6

About methyl 3-[butanoyl(ethyl)amino]propanoate

methyl 3-[butanoyl(ethyl)amino]propanoate (PubChem CID 22758761) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-[butanoyl(ethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[butanoyl(ethyl)amino]propanoate
PubChem CID22758761
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-[butanoyl(ethyl)amino]propanoate
SMILESCCCC(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C10H19NO3/c1-4-6-9(12)11(5-2)8-7-10(13)14-3/h4-8H2,1-3H3
InChIKeyNJJFBAODBJLJSJ-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[butanoyl(ethyl)amino]propanoate?
The IUPAC name of methyl 3-[butanoyl(ethyl)amino]propanoate (CID 22758761) is methyl 3-[butanoyl(ethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[butanoyl(ethyl)amino]propanoate?
The canonical SMILES for methyl 3-[butanoyl(ethyl)amino]propanoate is CCCC(=O)N(CC)CCC(=O)OC.
What is the InChIKey of methyl 3-[butanoyl(ethyl)amino]propanoate?
The InChIKey is NJJFBAODBJLJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-6-9(12)11(5-2)8-7-10(13)14-3/h4-8H2,1-3H3.
What are the key properties of methyl 3-[butanoyl(ethyl)amino]propanoate?
methyl 3-[butanoyl(ethyl)amino]propanoate has a molecular weight of 201.27 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[butanoyl(ethyl)amino]propanoate is sourced from PubChem (CID 22758761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).