ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate

C11H23NO4 — CID 106305458

IUPACethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate
SMILESCCOC(=O)CC(C)NCCCOCCO
InChIInChI=1S/C11H23NO4/c1-3-16-11(14)9-10(2)12-5-4-7-15-8-6-13/h10,12-13H,3-9H2,1-2H3
InChIKeyMEECNBGRORQSOK-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.32
Rot. Bonds10

About ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate

ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate (PubChem CID 106305458) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate
PubChem CID106305458
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nameethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate
SMILESCCOC(=O)CC(C)NCCCOCCO
InChIInChI=1S/C11H23NO4/c1-3-16-11(14)9-10(2)12-5-4-7-15-8-6-13/h10,12-13H,3-9H2,1-2H3
InChIKeyMEECNBGRORQSOK-UHFFFAOYSA-N
XLogP0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate
CID 106305528
ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate
CID 82322171
2-[3-(2-hydroxyethoxy)propylamino]butanamide
CID 106309792
N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide
CID 114171795
ethyl 3-(2-cyclohexyloxyethylamino)butanoate
CID 63828571
methyl 3-(2-ethoxyethylamino)butanoate
CID 43590969
ethyl 3-(2-hydroxyethoxy)propanoate
CID 22394031
ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate
CID 62636773
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate?
The IUPAC name of ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate (CID 106305458) is ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate.
What is the SMILES notation for ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate?
The canonical SMILES for ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate is CCOC(=O)CC(C)NCCCOCCO.
What is the InChIKey of ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate?
The InChIKey is MEECNBGRORQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-3-16-11(14)9-10(2)12-5-4-7-15-8-6-13/h10,12-13H,3-9H2,1-2H3.
What are the key properties of ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate?
ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate has a molecular weight of 233.31 g/mol, XLogP of 0.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate is sourced from PubChem (CID 106305458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).