ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate

C6H12N2O4 — CID 112673717

IUPACethyl 2-[(2-amino-2-oxoethoxy)amino]acetate
SMILESCCOC(=O)CNOCC(N)=O
InChIInChI=1S/C6H12N2O4/c1-2-11-6(10)3-8-12-4-5(7)9/h8H,2-4H2,1H3,(H2,7,9)
InChIKeyZHWYNZKLKFFPTA-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.44
Rot. Bonds6

About ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate

ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate (PubChem CID 112673717) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-2-oxoethoxy)amino]acetate
PubChem CID112673717
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Nameethyl 2-[(2-amino-2-oxoethoxy)amino]acetate
SMILESCCOC(=O)CNOCC(N)=O
InChIInChI=1S/C6H12N2O4/c1-2-11-6(10)3-8-12-4-5(7)9/h8H,2-4H2,1H3,(H2,7,9)
InChIKeyZHWYNZKLKFFPTA-UHFFFAOYSA-N
XLogP-1.44
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.44
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'}

Analyze ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate
CID 112673841
ethyl 2-(chlorooxyamino)acetate
CID 18800647
ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate
CID 112674000
2-(propylaminooxy)acetamide
CID 112673221
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
2-[(2-ethoxyacetyl)amino]oxyacetamide
CID 112550612
ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate
CID 82723991
ethyl (E)-4-[(2-amino-2-oxoethoxy)amino]but-2-enoate
CID 112673752
2-(2-ethylbutylamino)oxyacetamide
CID 112673147
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
2-[(3-ethoxy-2-hydroxypropyl)amino]oxyacetamide
CID 112674030
2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide
CID 112673980

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate?
The IUPAC name of ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate (CID 112673717) is ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate is CCOC(=O)CNOCC(N)=O.
What is the InChIKey of ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate?
The InChIKey is ZHWYNZKLKFFPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-2-11-6(10)3-8-12-4-5(7)9/h8H,2-4H2,1H3,(H2,7,9).
What are the key properties of ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate?
ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate has a molecular weight of 176.17 g/mol, XLogP of -1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate is sourced from PubChem (CID 112673717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).