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

C11H21NO3 — CID 20715308

IUPACmethyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate
SMILESCOC(=O)C(C)N(C)C(=O)C(C)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)8(3)10(13)12(5)9(4)11(14)15-6/h7-9H,1-6H3
InChIKeyMAVLXKVTEXSQSA-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.30
Rot. Bonds4

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

methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate (PubChem CID 20715308) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate
PubChem CID20715308
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate
SMILESCOC(=O)C(C)N(C)C(=O)C(C)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)8(3)10(13)12(5)9(4)11(14)15-6/h7-9H,1-6H3
InChIKeyMAVLXKVTEXSQSA-UHFFFAOYSA-N
XLogP1.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate?
The IUPAC name of methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate (CID 20715308) is methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate?
The canonical SMILES for methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate is COC(=O)C(C)N(C)C(=O)C(C)C(C)C.
What is the InChIKey of methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate?
The InChIKey is MAVLXKVTEXSQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)8(3)10(13)12(5)9(4)11(14)15-6/h7-9H,1-6H3.
What are the key properties of methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate?
methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate has a molecular weight of 215.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate is sourced from PubChem (CID 20715308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).