ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate

C13H26N2O3 — CID 83048968

IUPACethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate
SMILESCCCC(C(=O)OCC)N1CCOC(C(C)N)C1
InChIInChI=1S/C13H26N2O3/c1-4-6-11(13(16)17-5-2)15-7-8-18-12(9-15)10(3)14/h10-12H,4-9,14H2,1-3H3
InChIKeyLDCQCMOTASRRDS-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.77
Rot. Bonds6

About ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate

ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate (PubChem CID 83048968) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate
PubChem CID83048968
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate
SMILESCCCC(C(=O)OCC)N1CCOC(C(C)N)C1
InChIInChI=1S/C13H26N2O3/c1-4-6-11(13(16)17-5-2)15-7-8-18-12(9-15)10(3)14/h10-12H,4-9,14H2,1-3H3
InChIKeyLDCQCMOTASRRDS-UHFFFAOYSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate
CID 115315582
1-(4-pentan-3-ylmorpholin-2-yl)ethanamine
CID 115315016
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate
CID 104975735
ethyl 2-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate
CID 103898050
ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate
CID 95346669
1-(4-propylmorpholin-2-yl)ethanamine
CID 79658084
ethyl 2-thiomorpholin-4-ylpentanoate
CID 78964920
ethyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 83048861
ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
CID 83049640
2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile
CID 115315413

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate?
The IUPAC name of ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate (CID 83048968) is ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate.
What is the SMILES notation for ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate?
The canonical SMILES for ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate is CCCC(C(=O)OCC)N1CCOC(C(C)N)C1.
What is the InChIKey of ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate?
The InChIKey is LDCQCMOTASRRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-6-11(13(16)17-5-2)15-7-8-18-12(9-15)10(3)14/h10-12H,4-9,14H2,1-3H3.
What are the key properties of ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate?
ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate has a molecular weight of 258.36 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate is sourced from PubChem (CID 83048968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).