ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate

C11H23NO3 — CID 62541696

IUPACethyl 2-ethyl-2-(2-methoxyethylamino)butanoate
SMILESCCOC(=O)C(CC)(CC)NCCOC
InChIInChI=1S/C11H23NO3/c1-5-11(6-2,10(13)15-7-3)12-8-9-14-4/h12H,5-9H2,1-4H3
InChIKeySBWVLWQCUSJBFR-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds8

About ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate

ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate (PubChem CID 62541696) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-(2-methoxyethylamino)butanoate
PubChem CID62541696
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 2-ethyl-2-(2-methoxyethylamino)butanoate
SMILESCCOC(=O)C(CC)(CC)NCCOC
InChIInChI=1S/C11H23NO3/c1-5-11(6-2,10(13)15-7-3)12-8-9-14-4/h12H,5-9H2,1-4H3
InChIKeySBWVLWQCUSJBFR-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-acetamido-3,3,3-trifluoro-2-(2-methoxyethylamino)propanoate
CID 3816115
ethyl 2-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 22080566
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881
2-ethyl-2-(4-methoxybutylamino)butanoic acid
CID 115595143
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
ethyl 2-(2,6-difluorophenyl)-2-(2-methoxyethylamino)propanoate
CID 62539749
ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate
CID 62540113
ethyl 2,2-difluoro-4-methoxybutanoate
CID 154655517
methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate
CID 64918055
ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate
CID 106487669
diethyl 2-ethyl-2-(4-methoxybutyl)propanedioate
CID 104651057
ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate
CID 66455007

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate?
The IUPAC name of ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate (CID 62541696) is ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate?
The canonical SMILES for ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate is CCOC(=O)C(CC)(CC)NCCOC.
What is the InChIKey of ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate?
The InChIKey is SBWVLWQCUSJBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-11(6-2,10(13)15-7-3)12-8-9-14-4/h12H,5-9H2,1-4H3.
What are the key properties of ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate?
ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate has a molecular weight of 217.31 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate is sourced from PubChem (CID 62541696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).