ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate

C11H21NO4 — CID 10847117

IUPACethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate
SMILESCCOC(=O)CC(C)NCC(C)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-5-16-10(13)6-9(3)12-7-8(2)11(14)15-4/h8-9,12H,5-7H2,1-4H3
InChIKeyIAYZRJOLRMBZFI-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.73
Rot. Bonds7

About ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate

ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate (PubChem CID 10847117) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate
PubChem CID10847117
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate
SMILESCCOC(=O)CC(C)NCC(C)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-5-16-10(13)6-9(3)12-7-8(2)11(14)15-4/h8-9,12H,5-7H2,1-4H3
InChIKeyIAYZRJOLRMBZFI-UHFFFAOYSA-N
XLogP0.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate 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 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate?
The IUPAC name of ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate (CID 10847117) is ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate?
The canonical SMILES for ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate is CCOC(=O)CC(C)NCC(C)C(=O)OC.
What is the InChIKey of ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate?
The InChIKey is IAYZRJOLRMBZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-16-10(13)6-9(3)12-7-8(2)11(14)15-4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate?
ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate has a molecular weight of 231.29 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]butanoate is sourced from PubChem (CID 10847117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).