ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate

C13H25NO3 — CID 5125434

IUPACethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate
SMILESCCOC(=O)C(C)C(C(C)C)N1CCOCC1
InChIInChI=1S/C13H25NO3/c1-5-17-13(15)11(4)12(10(2)3)14-6-8-16-9-7-14/h10-12H,5-9H2,1-4H3
InChIKeyIFBLNRAXVOKBAI-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.54
Rot. Bonds5

About ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate

ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate (PubChem CID 5125434) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate
PubChem CID5125434
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate
SMILESCCOC(=O)C(C)C(C(C)C)N1CCOCC1
InChIInChI=1S/C13H25NO3/c1-5-17-13(15)11(4)12(10(2)3)14-6-8-16-9-7-14/h10-12H,5-9H2,1-4H3
InChIKeyIFBLNRAXVOKBAI-UHFFFAOYSA-N
XLogP1.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanoate;hydrobromide
CID 160558993
4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
CID 3312061
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
ethyl 2-morpholin-4-ylnonanoate;hydrochloride
CID 117066801
ethyl N-(1-morpholin-4-ylpropyl)carbamate
CID 67790508
ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate
CID 174809298
fluoro 2-morpholin-4-ylpropanoate
CID 169191902
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
diethyl 2-methylpropanedioate;oxolane
CID 174718682

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate?
The IUPAC name of ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate (CID 5125434) is ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate.
What is the SMILES notation for ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate?
The canonical SMILES for ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate is CCOC(=O)C(C)C(C(C)C)N1CCOCC1.
What is the InChIKey of ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate?
The InChIKey is IFBLNRAXVOKBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-17-13(15)11(4)12(10(2)3)14-6-8-16-9-7-14/h10-12H,5-9H2,1-4H3.
What are the key properties of ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate?
ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate has a molecular weight of 243.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate is sourced from PubChem (CID 5125434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).