methyl 2-[dimethylcarbamoyl(methyl)amino]acetate

C7H14N2O3 — CID 47015988

IUPACmethyl 2-[dimethylcarbamoyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)N(C)C
InChIInChI=1S/C7H14N2O3/c1-8(2)7(11)9(3)5-6(10)12-4/h5H2,1-4H3
InChIKeyIMRHSUBNSXEMLP-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.23
Rot. Bonds2

About methyl 2-[dimethylcarbamoyl(methyl)amino]acetate

methyl 2-[dimethylcarbamoyl(methyl)amino]acetate (PubChem CID 47015988) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 2-[dimethylcarbamoyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[dimethylcarbamoyl(methyl)amino]acetate
PubChem CID47015988
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namemethyl 2-[dimethylcarbamoyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)N(C)C
InChIInChI=1S/C7H14N2O3/c1-8(2)7(11)9(3)5-6(10)12-4/h5H2,1-4H3
InChIKeyIMRHSUBNSXEMLP-UHFFFAOYSA-N
XLogP-0.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[dimethylcarbamoyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[dimethylcarbamoyl(methyl)amino]acetate (CID 47015988) is methyl 2-[dimethylcarbamoyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[dimethylcarbamoyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[dimethylcarbamoyl(methyl)amino]acetate is COC(=O)CN(C)C(=O)N(C)C.
What is the InChIKey of methyl 2-[dimethylcarbamoyl(methyl)amino]acetate?
The InChIKey is IMRHSUBNSXEMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-8(2)7(11)9(3)5-6(10)12-4/h5H2,1-4H3.
What are the key properties of methyl 2-[dimethylcarbamoyl(methyl)amino]acetate?
methyl 2-[dimethylcarbamoyl(methyl)amino]acetate has a molecular weight of 174.20 g/mol, XLogP of -0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[dimethylcarbamoyl(methyl)amino]acetate is sourced from PubChem (CID 47015988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).