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

C11H23NO4 — CID 83040661

IUPACethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CCO)CCO
InChIInChI=1S/C11H23NO4/c1-3-5-10(11(15)16-4-2)12(6-8-13)7-9-14/h10,13-14H,3-9H2,1-2H3
InChIKeyIUSMUANIVNQQGG-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.00
Rot. Bonds9

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

ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate (PubChem CID 83040661) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
PubChem CID83040661
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nameethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CCO)CCO
InChIInChI=1S/C11H23NO4/c1-3-5-10(11(15)16-4-2)12(6-8-13)7-9-14/h10,13-14H,3-9H2,1-2H3
InChIKeyIUSMUANIVNQQGG-UHFFFAOYSA-N
XLogP0.00
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
CID 115282631
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
CID 64663015
ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
CID 103102891
ethyl 2-[cyanomethyl(propyl)amino]pentanoate
CID 83040932
2-[butyl(2-hydroxyethyl)amino]pentanehydrazide
CID 83047801
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
ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate
CID 83043236
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
CID 107480763
ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
CID 106511569
2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
CID 107886008

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate?
The IUPAC name of ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate (CID 83040661) is ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate is CCCC(C(=O)OCC)N(CCO)CCO.
What is the InChIKey of ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate?
The InChIKey is IUSMUANIVNQQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-3-5-10(11(15)16-4-2)12(6-8-13)7-9-14/h10,13-14H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate?
ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate has a molecular weight of 233.31 g/mol, XLogP of 0.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate is sourced from PubChem (CID 83040661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).