methyl 2-(butanoylamino)-2-methylpentanoate

C11H21NO3 — CID 43423935

IUPACmethyl 2-(butanoylamino)-2-methylpentanoate
SMILESCCCC(=O)NC(C)(CCC)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-5-7-9(13)12-11(3,8-6-2)10(14)15-4/h5-8H2,1-4H3,(H,12,13)
InChIKeyIBNDPCZIFXIJMF-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.63
Rot. Bonds6

About methyl 2-(butanoylamino)-2-methylpentanoate

methyl 2-(butanoylamino)-2-methylpentanoate (PubChem CID 43423935) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-(butanoylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(butanoylamino)-2-methylpentanoate
PubChem CID43423935
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-(butanoylamino)-2-methylpentanoate
SMILESCCCC(=O)NC(C)(CCC)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-5-7-9(13)12-11(3,8-6-2)10(14)15-4/h5-8H2,1-4H3,(H,12,13)
InChIKeyIBNDPCZIFXIJMF-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(butanoylamino)-2-methylpentanoate?
The IUPAC name of methyl 2-(butanoylamino)-2-methylpentanoate (CID 43423935) is methyl 2-(butanoylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 2-(butanoylamino)-2-methylpentanoate?
The canonical SMILES for methyl 2-(butanoylamino)-2-methylpentanoate is CCCC(=O)NC(C)(CCC)C(=O)OC.
What is the InChIKey of methyl 2-(butanoylamino)-2-methylpentanoate?
The InChIKey is IBNDPCZIFXIJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-7-9(13)12-11(3,8-6-2)10(14)15-4/h5-8H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-(butanoylamino)-2-methylpentanoate?
methyl 2-(butanoylamino)-2-methylpentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(butanoylamino)-2-methylpentanoate is sourced from PubChem (CID 43423935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).