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

C7H14N2O4 — CID 112673841

IUPACethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate
SMILESCCOC(=O)CCNOCC(N)=O
InChIInChI=1S/C7H14N2O4/c1-2-12-7(11)3-4-9-13-5-6(8)10/h9H,2-5H2,1H3,(H2,8,10)
InChIKeyZNCUEUKLPZUOEE-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.05
Rot. Bonds7

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

ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate (PubChem CID 112673841) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate
PubChem CID112673841
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Nameethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate
SMILESCCOC(=O)CCNOCC(N)=O
InChIInChI=1S/C7H14N2O4/c1-2-12-7(11)3-4-9-13-5-6(8)10/h9H,2-5H2,1H3,(H2,8,10)
InChIKeyZNCUEUKLPZUOEE-UHFFFAOYSA-N
XLogP-1.05
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.05
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

ethyl 2-[(2-amino-2-oxoethoxy)amino]acetate
CID 112673717
2-(propylaminooxy)acetamide
CID 112673221
2-(2-methoxyethylamino)oxyacetamide
CID 112673653
ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate
CID 112674000
ethyl 3-(methylamino)propanoate;methane
CID 159702101
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate
CID 118977664
2-[(2-ethoxyacetyl)amino]oxyacetamide
CID 112550612
ethyl (E)-4-[(2-amino-2-oxoethoxy)amino]but-2-enoate
CID 112673752
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
CID 61218283

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate?
The IUPAC name of ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate (CID 112673841) is ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate?
The canonical SMILES for ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate is CCOC(=O)CCNOCC(N)=O.
What is the InChIKey of ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate?
The InChIKey is ZNCUEUKLPZUOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-2-12-7(11)3-4-9-13-5-6(8)10/h9H,2-5H2,1H3,(H2,8,10).
What are the key properties of ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate?
ethyl 3-[(2-amino-2-oxoethoxy)amino]propanoate has a molecular weight of 190.20 g/mol, XLogP of -1.05, 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]propanoate is sourced from PubChem (CID 112673841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).