ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate

C9H16N2O4 — CID 55207467

IUPACethyl 2-[(2-acetamidoacetyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)CNC(C)=O
InChIInChI=1S/C9H16N2O4/c1-4-15-9(14)6-11(3)8(13)5-10-7(2)12/h4-6H2,1-3H3,(H,10,12)
InChIKeyRPSVLYFWSZXMKO-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.86
Rot. Bonds5

About ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate

ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate (PubChem CID 55207467) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-acetamidoacetyl)-methylamino]acetate
PubChem CID55207467
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nameethyl 2-[(2-acetamidoacetyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)CNC(C)=O
InChIInChI=1S/C9H16N2O4/c1-4-15-9(14)6-11(3)8(13)5-10-7(2)12/h4-6H2,1-3H3,(H,10,12)
InChIKeyRPSVLYFWSZXMKO-UHFFFAOYSA-N
XLogP-0.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate
CID 55207593
(2-ethoxy-2-oxoethyl) 2-acetamidoacetate
CID 4227127
ethyl 2-[methyl(propylcarbamoyl)amino]acetate
CID 10241951
ethyl 2-[carbonochloridoyl(methyl)amino]acetate
CID 134306024
(2-ethoxy-2-oxoethyl)-methylcarbamothioic S-acid
CID 155530849
(2-ethoxy-2-oxoethyl)-methylcarbamodithioic acid
CID 10051757
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383
ethyl 2-[(2-acetamido-3-methylbutanoyl)-methylamino]acetate
CID 55003873
ethyl 2-[dimethylcarbamothioyl(methyl)amino]acetate
CID 14401485
methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate
CID 43407517
2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
CID 115538733
ethane;ethyl 2-(dimethylamino)acetate
CID 170607054

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate (CID 55207467) is ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate is CCOC(=O)CN(C)C(=O)CNC(C)=O.
What is the InChIKey of ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate?
The InChIKey is RPSVLYFWSZXMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-4-15-9(14)6-11(3)8(13)5-10-7(2)12/h4-6H2,1-3H3,(H,10,12).
What are the key properties of ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate?
ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate has a molecular weight of 216.24 g/mol, XLogP of -0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate is sourced from PubChem (CID 55207467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).