ethyl 3-(3-methoxypropylamino)-4-oxopentanoate

C11H21NO4 — CID 82322132

IUPACethyl 3-(3-methoxypropylamino)-4-oxopentanoate
SMILESCCOC(=O)CC(NCCCOC)C(C)=O
InChIInChI=1S/C11H21NO4/c1-4-16-11(14)8-10(9(2)13)12-6-5-7-15-3/h10,12H,4-8H2,1-3H3
InChIKeyXUYPUFZAFTUEDB-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.52
Rot. Bonds9

About ethyl 3-(3-methoxypropylamino)-4-oxopentanoate

ethyl 3-(3-methoxypropylamino)-4-oxopentanoate (PubChem CID 82322132) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 3-(3-methoxypropylamino)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 3-(3-methoxypropylamino)-4-oxopentanoate
PubChem CID82322132
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 3-(3-methoxypropylamino)-4-oxopentanoate
SMILESCCOC(=O)CC(NCCCOC)C(C)=O
InChIInChI=1S/C11H21NO4/c1-4-16-11(14)8-10(9(2)13)12-6-5-7-15-3/h10,12H,4-8H2,1-3H3
InChIKeyXUYPUFZAFTUEDB-UHFFFAOYSA-N
XLogP0.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxypropylamino)-4-oxopentanoate?
The IUPAC name of ethyl 3-(3-methoxypropylamino)-4-oxopentanoate (CID 82322132) is ethyl 3-(3-methoxypropylamino)-4-oxopentanoate.
What is the SMILES notation for ethyl 3-(3-methoxypropylamino)-4-oxopentanoate?
The canonical SMILES for ethyl 3-(3-methoxypropylamino)-4-oxopentanoate is CCOC(=O)CC(NCCCOC)C(C)=O.
What is the InChIKey of ethyl 3-(3-methoxypropylamino)-4-oxopentanoate?
The InChIKey is XUYPUFZAFTUEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-16-11(14)8-10(9(2)13)12-6-5-7-15-3/h10,12H,4-8H2,1-3H3.
What are the key properties of ethyl 3-(3-methoxypropylamino)-4-oxopentanoate?
ethyl 3-(3-methoxypropylamino)-4-oxopentanoate has a molecular weight of 231.29 g/mol, XLogP of 0.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxypropylamino)-4-oxopentanoate is sourced from PubChem (CID 82322132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).