ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate

C8H16N2O4 — CID 112674000

IUPACethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNOCC(N)=O
InChIInChI=1S/C8H16N2O4/c1-3-13-8(12)6(2)4-10-14-5-7(9)11/h6,10H,3-5H2,1-2H3,(H2,9,11)
InChIKeySJVYKLTTZTZWMK-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.81
Rot. Bonds7

About ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate

ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate (PubChem CID 112674000) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate
PubChem CID112674000
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Nameethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNOCC(N)=O
InChIInChI=1S/C8H16N2O4/c1-3-13-8(12)6(2)4-10-14-5-7(9)11/h6,10H,3-5H2,1-2H3,(H2,9,11)
InChIKeySJVYKLTTZTZWMK-UHFFFAOYSA-N
XLogP-0.81
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate
CID 112673719
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
2-(2-methylpropylamino)oxyacetamide
CID 112672654
2-(2-ethylbutylamino)oxyacetamide
CID 112673147
2-[(3-ethoxy-2-hydroxypropyl)amino]oxyacetamide
CID 112674030
2-(propylaminooxy)acetamide
CID 112673221
ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate
CID 112673717
ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate
CID 112673841
2-[(2-amino-2-oxoethoxy)amino]-N-pentan-2-ylacetamide
CID 112673773
2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]oxyacetamide
CID 112673777
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate (CID 112674000) is ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate is CCOC(=O)C(C)CNOCC(N)=O.
What is the InChIKey of ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate?
The InChIKey is SJVYKLTTZTZWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-3-13-8(12)6(2)4-10-14-5-7(9)11/h6,10H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate?
ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate has a molecular weight of 204.23 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate is sourced from PubChem (CID 112674000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).