ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate

C11H23NO3 — CID 55210801

IUPACethyl 2-[ethyl(5-hydroxypentyl)amino]acetate
SMILESCCOC(=O)CN(CC)CCCCCO
InChIInChI=1S/C11H23NO3/c1-3-12(8-6-5-7-9-13)10-11(14)15-4-2/h13H,3-10H2,1-2H3
InChIKeyXJDWGIFWMKOYMV-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.03
Rot. Bonds9

About ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate

ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate (PubChem CID 55210801) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(5-hydroxypentyl)amino]acetate
PubChem CID55210801
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 2-[ethyl(5-hydroxypentyl)amino]acetate
SMILESCCOC(=O)CN(CC)CCCCCO
InChIInChI=1S/C11H23NO3/c1-3-12(8-6-5-7-9-13)10-11(14)15-4-2/h13H,3-10H2,1-2H3
InChIKeyXJDWGIFWMKOYMV-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.03
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-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
ethyl 2-[ethyl(heptyl)amino]acetate
CID 55208036
ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate
CID 65095633
ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
CID 156838372
2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
CID 156509209
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate
CID 107860351
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate
CID 103484099
7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
CID 171562657
dodecan-1-ol;ethyl 2-hydroxyacetate
CID 159384320

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate (CID 55210801) is ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate is CCOC(=O)CN(CC)CCCCCO.
What is the InChIKey of ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate?
The InChIKey is XJDWGIFWMKOYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-12(8-6-5-7-9-13)10-11(14)15-4-2/h13H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate?
ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate has a molecular weight of 217.31 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate is sourced from PubChem (CID 55210801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).