ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate

C14H28N2O3 — CID 106488289

IUPACethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate
SMILESCCCC(CN)(CCN1CCOCC1)C(=O)OCC
InChIInChI=1S/C14H28N2O3/c1-3-5-14(12-15,13(17)19-4-2)6-7-16-8-10-18-11-9-16/h3-12,15H2,1-2H3
InChIKeyZOUVUDHRKJXJTA-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.02
Rot. Bonds8

About ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate

ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate (PubChem CID 106488289) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate
PubChem CID106488289
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate
SMILESCCCC(CN)(CCN1CCOCC1)C(=O)OCC
InChIInChI=1S/C14H28N2O3/c1-3-5-14(12-15,13(17)19-4-2)6-7-16-8-10-18-11-9-16/h3-12,15H2,1-2H3
InChIKeyZOUVUDHRKJXJTA-UHFFFAOYSA-N
XLogP1.02
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-2-methyl-4-(1,4-oxazepan-4-yl)butanoate
CID 62974765
ethyl acetate;4-propylmorpholine
CID 160534633
ethyl 2-methyl-2-(methylamino)-4-(1,4-oxazepan-4-yl)butanoate
CID 62974767
2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 118259810
2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
CID 103973536
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide
CID 160558993
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
CID 63054023
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
ethyl 2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]pentanoate
CID 106488335

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate (CID 106488289) is ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate is CCCC(CN)(CCN1CCOCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate?
The InChIKey is ZOUVUDHRKJXJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-5-14(12-15,13(17)19-4-2)6-7-16-8-10-18-11-9-16/h3-12,15H2,1-2H3.
What are the key properties of ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate?
ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate has a molecular weight of 272.39 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-2-(2-morpholin-4-ylethyl)pentanoate is sourced from PubChem (CID 106488289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).