ethyl 5-(methoxyamino)-5-oxopentanoate

C8H15NO4 — CID 10954317

IUPACethyl 5-(methoxyamino)-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)NOC
InChIInChI=1S/C8H15NO4/c1-3-13-8(11)6-4-5-7(10)9-12-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyDNVRGAUODMPHFA-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.40
Rot. Bonds6

About ethyl 5-(methoxyamino)-5-oxopentanoate

ethyl 5-(methoxyamino)-5-oxopentanoate (PubChem CID 10954317) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is ethyl 5-(methoxyamino)-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(methoxyamino)-5-oxopentanoate
PubChem CID10954317
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameethyl 5-(methoxyamino)-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)NOC
InChIInChI=1S/C8H15NO4/c1-3-13-8(11)6-4-5-7(10)9-12-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyDNVRGAUODMPHFA-UHFFFAOYSA-N
XLogP0.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 5-(methoxyamino)-5-oxopentanoate 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 5-(methoxyamino)-5-oxopentanoate?
The IUPAC name of ethyl 5-(methoxyamino)-5-oxopentanoate (CID 10954317) is ethyl 5-(methoxyamino)-5-oxopentanoate.
What is the SMILES notation for ethyl 5-(methoxyamino)-5-oxopentanoate?
The canonical SMILES for ethyl 5-(methoxyamino)-5-oxopentanoate is CCOC(=O)CCCC(=O)NOC.
What is the InChIKey of ethyl 5-(methoxyamino)-5-oxopentanoate?
The InChIKey is DNVRGAUODMPHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-13-8(11)6-4-5-7(10)9-12-2/h3-6H2,1-2H3,(H,9,10).
What are the key properties of ethyl 5-(methoxyamino)-5-oxopentanoate?
ethyl 5-(methoxyamino)-5-oxopentanoate has a molecular weight of 189.21 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(methoxyamino)-5-oxopentanoate is sourced from PubChem (CID 10954317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).