methyl 3-(1-ethoxyethylideneamino)oxypropanoate

C8H15NO4 — CID 71331645

IUPACmethyl 3-(1-ethoxyethylideneamino)oxypropanoate
SMILESCCOC(C)=NOCCC(=O)OC
InChIInChI=1S/C8H15NO4/c1-4-12-7(2)9-13-6-5-8(10)11-3/h4-6H2,1-3H3
InChIKeyJMIQIVYDZYOXJF-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.94
Rot. Bonds5

About methyl 3-(1-ethoxyethylideneamino)oxypropanoate

methyl 3-(1-ethoxyethylideneamino)oxypropanoate (PubChem CID 71331645) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 3-(1-ethoxyethylideneamino)oxypropanoate.

Molecular Properties

Compound Namemethyl 3-(1-ethoxyethylideneamino)oxypropanoate
PubChem CID71331645
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl 3-(1-ethoxyethylideneamino)oxypropanoate
SMILESCCOC(C)=NOCCC(=O)OC
InChIInChI=1S/C8H15NO4/c1-4-12-7(2)9-13-6-5-8(10)11-3/h4-6H2,1-3H3
InChIKeyJMIQIVYDZYOXJF-UHFFFAOYSA-N
XLogP0.94
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(propan-2-ylideneamino)oxypropanoate
CID 15627856
6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid
CID 118175045
ethyl N-(3-oxopropoxy)ethanimidate
CID 71374207
methyl 2-(1-ethoxyethylideneamino)acetate
CID 10986527
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl N-(3-chloropropoxy)ethanimidate
CID 71339989
ethyl (1E)-N-(3-bromopropoxy)ethanimidate
CID 18008115
ethyl N-(4-bromobutoxy)ethanimidate
CID 54060616
ethyl N-(10-hydroxydecoxy)ethanimidate
CID 71419610
methyl 3-propanoyloxypropanoate;3-oxobutyl propanoate
CID 160585097
methyl 4-ethoxycarbonyloxybutanoate
CID 140976798
1-O-ethyl 5-O-methyl (2Z)-2-hydroxyiminopentanedioate
CID 88776427

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-ethoxyethylideneamino)oxypropanoate?
The IUPAC name of methyl 3-(1-ethoxyethylideneamino)oxypropanoate (CID 71331645) is methyl 3-(1-ethoxyethylideneamino)oxypropanoate.
What is the SMILES notation for methyl 3-(1-ethoxyethylideneamino)oxypropanoate?
The canonical SMILES for methyl 3-(1-ethoxyethylideneamino)oxypropanoate is CCOC(C)=NOCCC(=O)OC.
What is the InChIKey of methyl 3-(1-ethoxyethylideneamino)oxypropanoate?
The InChIKey is JMIQIVYDZYOXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-12-7(2)9-13-6-5-8(10)11-3/h4-6H2,1-3H3.
What are the key properties of methyl 3-(1-ethoxyethylideneamino)oxypropanoate?
methyl 3-(1-ethoxyethylideneamino)oxypropanoate has a molecular weight of 189.21 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-ethoxyethylideneamino)oxypropanoate is sourced from PubChem (CID 71331645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).