ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate

C11H23NO3 — CID 115282631

IUPACethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC)CCO
InChIInChI=1S/C11H23NO3/c1-4-7-10(11(14)15-6-3)12(5-2)8-9-13/h10,13H,4-9H2,1-3H3
InChIKeyTWSLEOXZDPIYRZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.03
Rot. Bonds8

About ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate

ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate (PubChem CID 115282631) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
PubChem CID115282631
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC)CCO
InChIInChI=1S/C11H23NO3/c1-4-7-10(11(14)15-6-3)12(5-2)8-9-13/h10,13H,4-9H2,1-3H3
InChIKeyTWSLEOXZDPIYRZ-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
CID 103102891
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
CID 64663015
ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate
CID 82840562
ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate
CID 82841783
2-[ethyl(2-hydroxyethyl)amino]butanamide
CID 62900659
ethyl 2-[cyanomethyl(propyl)amino]pentanoate
CID 83040932
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042
ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
CID 102994723
2-[butyl(2-hydroxyethyl)amino]pentanehydrazide
CID 83047801
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate
CID 82838965

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate?
The IUPAC name of ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate (CID 115282631) is ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate is CCCC(C(=O)OCC)N(CC)CCO.
What is the InChIKey of ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate?
The InChIKey is TWSLEOXZDPIYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-7-10(11(14)15-6-3)12(5-2)8-9-13/h10,13H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate?
ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.03, 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-hydroxyethyl)amino]pentanoate is sourced from PubChem (CID 115282631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).