ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate

C8H16N2O4 — CID 14860700

IUPACethyl 2-acetamido-2-[methoxy(methyl)amino]acetate
SMILESCCOC(=O)C(NC(C)=O)N(C)OC
InChIInChI=1S/C8H16N2O4/c1-5-14-8(12)7(9-6(2)11)10(3)13-4/h7H,5H2,1-4H3,(H,9,11)
InChIKeyBWFSSXVDVZOQPT-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.50
Rot. Bonds5

About ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate

ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate (PubChem CID 14860700) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-[methoxy(methyl)amino]acetate
PubChem CID14860700
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Nameethyl 2-acetamido-2-[methoxy(methyl)amino]acetate
SMILESCCOC(=O)C(NC(C)=O)N(C)OC
InChIInChI=1S/C8H16N2O4/c1-5-14-8(12)7(9-6(2)11)10(3)13-4/h7H,5H2,1-4H3,(H,9,11)
InChIKeyBWFSSXVDVZOQPT-UHFFFAOYSA-N
XLogP-0.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-acetamido-2-(dimethylamino)acetate
CID 92980719
ethyl (2S)-2-acetamidopropanoate
CID 11805045
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ethyl 2-acetamido-2-dimethoxyphosphorylacetate
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ethyl 2-acetamido-2-chloroacetate
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ethyl 2-acetamido-2-(methylamino)acetate
CID 14860687
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CID 57117583
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CID 137321070
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CID 15182780
ethyl 2-acetamido-4-bromopent-4-enoate
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CID 161483069

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate?
The IUPAC name of ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate (CID 14860700) is ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate?
The canonical SMILES for ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate is CCOC(=O)C(NC(C)=O)N(C)OC.
What is the InChIKey of ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate?
The InChIKey is BWFSSXVDVZOQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-5-14-8(12)7(9-6(2)11)10(3)13-4/h7H,5H2,1-4H3,(H,9,11).
What are the key properties of ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate?
ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate has a molecular weight of 204.23 g/mol, XLogP of -0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate is sourced from PubChem (CID 14860700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).