ethyl 2-diazo-3-(2-methoxyethoxy)propanoate

C8H14N2O4 — CID 72770448

IUPACethyl 2-diazo-3-(2-methoxyethoxy)propanoate
SMILESCCOC(=O)C(COCCOC)=[N+]=[N-]
InChIInChI=1S/C8H14N2O4/c1-3-14-8(11)7(10-9)6-13-5-4-12-2/h3-6H2,1-2H3
InChIKeyDZZKFTGGSKKXQN-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.12
Rot. Bonds7

About ethyl 2-diazo-3-(2-methoxyethoxy)propanoate

ethyl 2-diazo-3-(2-methoxyethoxy)propanoate (PubChem CID 72770448) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl 2-diazo-3-(2-methoxyethoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-diazo-3-(2-methoxyethoxy)propanoate
PubChem CID72770448
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Nameethyl 2-diazo-3-(2-methoxyethoxy)propanoate
SMILESCCOC(=O)C(COCCOC)=[N+]=[N-]
InChIInChI=1S/C8H14N2O4/c1-3-14-8(11)7(10-9)6-13-5-4-12-2/h3-6H2,1-2H3
InChIKeyDZZKFTGGSKKXQN-UHFFFAOYSA-N
XLogP-0.12
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazo-3-(2-methoxyethoxy)propanoate?
The IUPAC name of ethyl 2-diazo-3-(2-methoxyethoxy)propanoate (CID 72770448) is ethyl 2-diazo-3-(2-methoxyethoxy)propanoate.
What is the SMILES notation for ethyl 2-diazo-3-(2-methoxyethoxy)propanoate?
The canonical SMILES for ethyl 2-diazo-3-(2-methoxyethoxy)propanoate is CCOC(=O)C(COCCOC)=[N+]=[N-].
What is the InChIKey of ethyl 2-diazo-3-(2-methoxyethoxy)propanoate?
The InChIKey is DZZKFTGGSKKXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-3-14-8(11)7(10-9)6-13-5-4-12-2/h3-6H2,1-2H3.
What are the key properties of ethyl 2-diazo-3-(2-methoxyethoxy)propanoate?
ethyl 2-diazo-3-(2-methoxyethoxy)propanoate has a molecular weight of 202.21 g/mol, XLogP of -0.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-3-(2-methoxyethoxy)propanoate is sourced from PubChem (CID 72770448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).