ethyl 2-acetamido-2-(dimethylamino)acetate

C8H16N2O3 — CID 14860697

IUPACethyl 2-acetamido-2-(dimethylamino)acetate
SMILESCCOC(=O)C(NC(C)=O)N(C)C
InChIInChI=1S/C8H16N2O3/c1-5-13-8(12)7(10(3)4)9-6(2)11/h7H,5H2,1-4H3,(H,9,11)
InChIKeyHCSTUIOHBKWESR-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.43
Rot. Bonds4

About ethyl 2-acetamido-2-(dimethylamino)acetate

ethyl 2-acetamido-2-(dimethylamino)acetate (PubChem CID 14860697) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl 2-acetamido-2-(dimethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-(dimethylamino)acetate
PubChem CID14860697
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl 2-acetamido-2-(dimethylamino)acetate
SMILESCCOC(=O)C(NC(C)=O)N(C)C
InChIInChI=1S/C8H16N2O3/c1-5-13-8(12)7(10(3)4)9-6(2)11/h7H,5H2,1-4H3,(H,9,11)
InChIKeyHCSTUIOHBKWESR-UHFFFAOYSA-N
XLogP-0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate
CID 251730
Acetic acid, (3-methylureido)-, ethyl ester
CID 251728
Ethyl 2-(dimethylcarbamoylamino)acetate
CID 350289
Ethyl N'-isopropylureidoacetate
CID 541544
Ethyl 2-({[3-(2-amino-2-oxoethyl)-2,4-dioxoimidazolidin-1-yl]carbonyl}amino)acetate
CID 155490328
Ethyl 2-{3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl}acetate
CID 155490329
Ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
CID 54948797
Ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 115613461
Ethyl 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 116013421
Ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate
CID 47454097
Ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate
CID 10754772
N-(2-Ethoxy-2-oxoethyl)-4-methylpiperazine-1-carboximidic acid
CID 236647

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-(dimethylamino)acetate?
The IUPAC name of ethyl 2-acetamido-2-(dimethylamino)acetate (CID 14860697) is ethyl 2-acetamido-2-(dimethylamino)acetate.
What is the SMILES notation for ethyl 2-acetamido-2-(dimethylamino)acetate?
The canonical SMILES for ethyl 2-acetamido-2-(dimethylamino)acetate is CCOC(=O)C(NC(C)=O)N(C)C.
What is the InChIKey of ethyl 2-acetamido-2-(dimethylamino)acetate?
The InChIKey is HCSTUIOHBKWESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5-13-8(12)7(10(3)4)9-6(2)11/h7H,5H2,1-4H3,(H,9,11).
What are the key properties of ethyl 2-acetamido-2-(dimethylamino)acetate?
ethyl 2-acetamido-2-(dimethylamino)acetate has a molecular weight of 188.23 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-(dimethylamino)acetate is sourced from PubChem (CID 14860697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).