ethyl 2-(2-propan-2-yloxyethylimino)acetate

C9H17NO3 — CID 139818763

IUPACethyl 2-(2-propan-2-yloxyethylimino)acetate
SMILESCCOC(=O)/C=N/CCOC(C)C
InChIInChI=1S/C9H17NO3/c1-4-12-9(11)7-10-5-6-13-8(2)3/h7-8H,4-6H2,1-3H3/b10-7+
InChIKeyUCLSCVRTQIBSDM-JXMROGBWSA-N
MW187.24 g/mol
LogP1.05
Rot. Bonds6

About ethyl 2-(2-propan-2-yloxyethylimino)acetate

ethyl 2-(2-propan-2-yloxyethylimino)acetate (PubChem CID 139818763) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-(2-propan-2-yloxyethylimino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-propan-2-yloxyethylimino)acetate
PubChem CID139818763
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-(2-propan-2-yloxyethylimino)acetate
SMILESCCOC(=O)/C=N/CCOC(C)C
InChIInChI=1S/C9H17NO3/c1-4-12-9(11)7-10-5-6-13-8(2)3/h7-8H,4-6H2,1-3H3/b10-7+
InChIKeyUCLSCVRTQIBSDM-JXMROGBWSA-N
XLogP1.05
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propan-2-yloxyethylimino)acetate?
The IUPAC name of ethyl 2-(2-propan-2-yloxyethylimino)acetate (CID 139818763) is ethyl 2-(2-propan-2-yloxyethylimino)acetate.
What is the SMILES notation for ethyl 2-(2-propan-2-yloxyethylimino)acetate?
The canonical SMILES for ethyl 2-(2-propan-2-yloxyethylimino)acetate is CCOC(=O)/C=N/CCOC(C)C.
What is the InChIKey of ethyl 2-(2-propan-2-yloxyethylimino)acetate?
The InChIKey is UCLSCVRTQIBSDM-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-12-9(11)7-10-5-6-13-8(2)3/h7-8H,4-6H2,1-3H3/b10-7+.
What are the key properties of ethyl 2-(2-propan-2-yloxyethylimino)acetate?
ethyl 2-(2-propan-2-yloxyethylimino)acetate has a molecular weight of 187.24 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propan-2-yloxyethylimino)acetate is sourced from PubChem (CID 139818763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).