butyl 2-[methyl(2-methylpropanoyl)amino]acetate

C11H21NO3 — CID 91692180

IUPACbutyl 2-[methyl(2-methylpropanoyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)C(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-7-15-10(13)8-12(4)11(14)9(2)3/h9H,5-8H2,1-4H3
InChIKeyYLJPFXZUTLXGHS-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.44
Rot. Bonds6

About butyl 2-[methyl(2-methylpropanoyl)amino]acetate

butyl 2-[methyl(2-methylpropanoyl)amino]acetate (PubChem CID 91692180) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is butyl 2-[methyl(2-methylpropanoyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[methyl(2-methylpropanoyl)amino]acetate
PubChem CID91692180
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namebutyl 2-[methyl(2-methylpropanoyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)C(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-7-15-10(13)8-12(4)11(14)9(2)3/h9H,5-8H2,1-4H3
InChIKeyYLJPFXZUTLXGHS-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 2-[methyl(2-methylpropanoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl 2-[methyl(2-methylpropanoyl)amino]acetate?
The IUPAC name of butyl 2-[methyl(2-methylpropanoyl)amino]acetate (CID 91692180) is butyl 2-[methyl(2-methylpropanoyl)amino]acetate.
What is the SMILES notation for butyl 2-[methyl(2-methylpropanoyl)amino]acetate?
The canonical SMILES for butyl 2-[methyl(2-methylpropanoyl)amino]acetate is CCCCOC(=O)CN(C)C(=O)C(C)C.
What is the InChIKey of butyl 2-[methyl(2-methylpropanoyl)amino]acetate?
The InChIKey is YLJPFXZUTLXGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-6-7-15-10(13)8-12(4)11(14)9(2)3/h9H,5-8H2,1-4H3.
What are the key properties of butyl 2-[methyl(2-methylpropanoyl)amino]acetate?
butyl 2-[methyl(2-methylpropanoyl)amino]acetate has a molecular weight of 215.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[methyl(2-methylpropanoyl)amino]acetate is sourced from PubChem (CID 91692180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).