ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate

C10H17NO4 — CID 54160226

IUPACethyl 3-(1-acetyloxypropan-2-ylimino)propanoate
SMILESCCOC(=O)C/C=N/C(C)COC(C)=O
InChIInChI=1S/C10H17NO4/c1-4-14-10(13)5-6-11-8(2)7-15-9(3)12/h6,8H,4-5,7H2,1-3H3/b11-6+
InChIKeyONWRKOYPDQSUQK-IZZDOVSWSA-N
MW215.25 g/mol
LogP0.96
Rot. Bonds6

About ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate

ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate (PubChem CID 54160226) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-acetyloxypropan-2-ylimino)propanoate
PubChem CID54160226
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 3-(1-acetyloxypropan-2-ylimino)propanoate
SMILESCCOC(=O)C/C=N/C(C)COC(C)=O
InChIInChI=1S/C10H17NO4/c1-4-14-10(13)5-6-11-8(2)7-15-9(3)12/h6,8H,4-5,7H2,1-3H3/b11-6+
InChIKeyONWRKOYPDQSUQK-IZZDOVSWSA-N
XLogP0.96
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate?
The IUPAC name of ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate (CID 54160226) is ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate.
What is the SMILES notation for ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate?
The canonical SMILES for ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate is CCOC(=O)C/C=N/C(C)COC(C)=O.
What is the InChIKey of ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate?
The InChIKey is ONWRKOYPDQSUQK-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-14-10(13)5-6-11-8(2)7-15-9(3)12/h6,8H,4-5,7H2,1-3H3/b11-6+.
What are the key properties of ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate?
ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate has a molecular weight of 215.25 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate is sourced from PubChem (CID 54160226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).