ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate

C10H16N2O4 — CID 85434640

IUPACethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCC(=O)CC1)=NO
InChIInChI=1S/C10H16N2O4/c1-2-16-10(14)9(11-15)7-12-5-3-8(13)4-6-12/h15H,2-7H2,1H3
InChIKeyACJORHCBUPSETQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.04
Rot. Bonds4

About ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate

ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate (PubChem CID 85434640) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate
PubChem CID85434640
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCC(=O)CC1)=NO
InChIInChI=1S/C10H16N2O4/c1-2-16-10(14)9(11-15)7-12-5-3-8(13)4-6-12/h15H,2-7H2,1H3
InChIKeyACJORHCBUPSETQ-UHFFFAOYSA-N
XLogP0.04
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate (CID 85434640) is ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate is CCOC(=O)C(CN1CCC(=O)CC1)=NO.
What is the InChIKey of ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate?
The InChIKey is ACJORHCBUPSETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-16-10(14)9(11-15)7-12-5-3-8(13)4-6-12/h15H,2-7H2,1H3.
What are the key properties of ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate?
ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate has a molecular weight of 228.25 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxyimino-3-(4-oxopiperidin-1-yl)propanoate is sourced from PubChem (CID 85434640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).