methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate

C9H17NO3 — CID 15339619

IUPACmethyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-9(2,3)8(12)10(4)6-7(11)13-5/h6H2,1-5H3
InChIKeyCNDBPIILBQZRMC-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.66
Rot. Bonds2

About methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate

methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate (PubChem CID 15339619) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate
PubChem CID15339619
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-9(2,3)8(12)10(4)6-7(11)13-5/h6H2,1-5H3
InChIKeyCNDBPIILBQZRMC-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[2,2-dimethylpropanoyl(methyl)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 methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate (CID 15339619) is methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate is COC(=O)CN(C)C(=O)C(C)(C)C.
What is the InChIKey of methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate?
The InChIKey is CNDBPIILBQZRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)8(12)10(4)6-7(11)13-5/h6H2,1-5H3.
What are the key properties of methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate?
methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate has a molecular weight of 187.24 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate is sourced from PubChem (CID 15339619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).