2-morpholin-4-ylethyl 2-ethylpentanoate

C13H25NO3 — CID 144660148

IUPAC2-morpholin-4-ylethyl 2-ethylpentanoate
SMILESCCCC(CC)C(=O)OCCN1CCOCC1
InChIInChI=1S/C13H25NO3/c1-3-5-12(4-2)13(15)17-11-8-14-6-9-16-10-7-14/h12H,3-11H2,1-2H3
InChIKeySWTCRGFPNCXXHL-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.69
Rot. Bonds7

About 2-morpholin-4-ylethyl 2-ethylpentanoate

2-morpholin-4-ylethyl 2-ethylpentanoate (PubChem CID 144660148) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-ethylpentanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-ethylpentanoate
PubChem CID144660148
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-morpholin-4-ylethyl 2-ethylpentanoate
SMILESCCCC(CC)C(=O)OCCN1CCOCC1
InChIInChI=1S/C13H25NO3/c1-3-5-12(4-2)13(15)17-11-8-14-6-9-16-10-7-14/h12H,3-11H2,1-2H3
InChIKeySWTCRGFPNCXXHL-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
CID 158502443
1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate
CID 67760616
2-morpholin-4-ylethyl octanoate
CID 23118480
2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
CID 103973536
4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
CID 71711808
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
methyl 2-(morpholin-4-ylmethyl)butanoate
CID 117242059
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
2-morpholin-4-ylethyl 2-iodobut-3-enoate
CID 162508454
CID 174952930
CID 174952930

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-ethylpentanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2-ethylpentanoate (CID 144660148) is 2-morpholin-4-ylethyl 2-ethylpentanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-ethylpentanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-ethylpentanoate is CCCC(CC)C(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-ethylpentanoate?
The InChIKey is SWTCRGFPNCXXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-5-12(4-2)13(15)17-11-8-14-6-9-16-10-7-14/h12H,3-11H2,1-2H3.
What are the key properties of 2-morpholin-4-ylethyl 2-ethylpentanoate?
2-morpholin-4-ylethyl 2-ethylpentanoate has a molecular weight of 243.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-ethylpentanoate is sourced from PubChem (CID 144660148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).