2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine

C20H40N2O5 — CID 160748573

IUPAC2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine
SMILESC1COCCN1.CCC(CC)C(=O)N1CCOCC1.CCC(CC)C(=O)O
InChIInChI=1S/C10H19NO2.C6H12O2.C4H9NO/c1-3-9(4-2)10(12)11-5-7-13-8-6-11;1-3-5(4-2)6(7)8;1-3-6-4-2-5-1/h9H,3-8H2,1-2H3;5H,3-4H2,1-2H3,(H,7,8);5H,1-4H2
InChIKeyRWMZECQFTMHONE-UHFFFAOYSA-N
MW388.55 g/mol
LogP2.39
Rot. Bonds6

About 2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine

2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine (PubChem CID 160748573) has the molecular formula C20H40N2O5 and a molecular weight of 388.55 g/mol. Its IUPAC name is 2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine.

Molecular Properties

Compound Name2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine
PubChem CID160748573
Molecular FormulaC20H40N2O5
Molecular Weight388.55 g/mol
Exact Mass388.29
IUPAC Name2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine
SMILESC1COCCN1.CCC(CC)C(=O)N1CCOCC1.CCC(CC)C(=O)O
InChIInChI=1S/C10H19NO2.C6H12O2.C4H9NO/c1-3-9(4-2)10(12)11-5-7-13-8-6-11;1-3-5(4-2)6(7)8;1-3-6-4-2-5-1/h9H,3-8H2,1-2H3;5H,3-4H2,1-2H3,(H,7,8);5H,1-4H2
InChIKeyRWMZECQFTMHONE-UHFFFAOYSA-N
XLogP2.39
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine with MolForge

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Related Compounds

(2R)-2-ethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 59930843
(2S)-2-amino-1-morpholin-4-ylbutan-1-one;(2R)-2-ethyl-4-oxo-4-phenylmethoxybutanoic acid;morpholine;hydrochloride
CID 160738982
2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione
CID 173096762
1-morpholin-4-yl-2-propylhexan-1-one
CID 146231854
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
2-isocyano-1-morpholin-4-ylbutan-1-one
CID 134865549
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
[(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium
CID 7452509
2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid
CID 105355499
2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679
disodium;2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)propanedioic acid
CID 19917396

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine?
The IUPAC name of 2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine (CID 160748573) is 2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine.
What is the SMILES notation for 2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine?
The canonical SMILES for 2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine is C1COCCN1.CCC(CC)C(=O)N1CCOCC1.CCC(CC)C(=O)O.
What is the InChIKey of 2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine?
The InChIKey is RWMZECQFTMHONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C6H12O2.C4H9NO/c1-3-9(4-2)10(12)11-5-7-13-8-6-11;1-3-5(4-2)6(7)8;1-3-6-4-2-5-1/h9H,3-8H2,1-2H3;5H,3-4H2,1-2H3,(H,7,8);5H,1-4H2.
What are the key properties of 2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine?
2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine has a molecular weight of 388.55 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine is sourced from PubChem (CID 160748573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).