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

C14H29NO3 — CID 106115403

IUPACethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate
SMILESCCCC(CCO)CNC(CCC)C(=O)OCC
InChIInChI=1S/C14H29NO3/c1-4-7-12(9-10-16)11-15-13(8-5-2)14(17)18-6-3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyHEDIXCNRIFLFPZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.11
Rot. Bonds11

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

ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate (PubChem CID 106115403) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate
PubChem CID106115403
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nameethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate
SMILESCCCC(CCO)CNC(CCC)C(=O)OCC
InChIInChI=1S/C14H29NO3/c1-4-7-12(9-10-16)11-15-13(8-5-2)14(17)18-6-3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyHEDIXCNRIFLFPZ-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate
CID 106115101
methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate
CID 106115807
methyl 2-[2-(2-hydroxyethyl)pentylamino]butanoate
CID 106114890
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-amino-3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropanoate
CID 106116797
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate
CID 114756588
ethyl 3-[[(1-amino-1-oxobutan-2-yl)amino]methyl]hexanoate
CID 22387093
ethyl 2-(phosphanylamino)pentanoate
CID 59113606
ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate
CID 104711257
ethyl 2-(3-methylbut-2-enylamino)pentanoate
CID 103520467

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate?
The IUPAC name of ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate (CID 106115403) is ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate.
What is the SMILES notation for ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate?
The canonical SMILES for ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate is CCCC(CCO)CNC(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate?
The InChIKey is HEDIXCNRIFLFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-7-12(9-10-16)11-15-13(8-5-2)14(17)18-6-3/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate?
ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate has a molecular weight of 259.39 g/mol, XLogP of 2.11, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate is sourced from PubChem (CID 106115403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).