diethyl 2-morpholin-4-ylbutanedioate

C12H21NO5 — CID 10729980

IUPACdiethyl 2-morpholin-4-ylbutanedioate
SMILESCCOC(=O)CC(C(=O)OCC)N1CCOCC1
InChIInChI=1S/C12H21NO5/c1-3-17-11(14)9-10(12(15)18-4-2)13-5-7-16-8-6-13/h10H,3-9H2,1-2H3
InChIKeyHUIMGAJKIXSLEL-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.20
Rot. Bonds6

About diethyl 2-morpholin-4-ylbutanedioate

diethyl 2-morpholin-4-ylbutanedioate (PubChem CID 10729980) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is diethyl 2-morpholin-4-ylbutanedioate.

Molecular Properties

Compound Namediethyl 2-morpholin-4-ylbutanedioate
PubChem CID10729980
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Namediethyl 2-morpholin-4-ylbutanedioate
SMILESCCOC(=O)CC(C(=O)OCC)N1CCOCC1
InChIInChI=1S/C12H21NO5/c1-3-17-11(14)9-10(12(15)18-4-2)13-5-7-16-8-6-13/h10H,3-9H2,1-2H3
InChIKeyHUIMGAJKIXSLEL-UHFFFAOYSA-N
XLogP0.20
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Succinic acid, 2-(morpholin-4-yl)-, 1-isopropyl ester
CID 3351593
4-Ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
CID 661641
Triethyl 2-morpholino-1,1,2-ethanetricarboxylate
CID 3812720
2-Piperidin-1-yl-succinic acid dipentyl ester
CID 9549527
Dimethyl 2-(4-(ethoxycarbonyl)piperazin-1-yl)succinate
CID 16462813
Dimethyl 2-(4-methylpiperazin-1-yl)succinate
CID 4896716
L,D-morpholinosuccinic acid
CID 12615272
Methyl 3-Morpholinobutanoate
CID 15095655
(2S,3R)-diethyl piperazine-2,3-dicarboxylate
CID 29924428
1-Piperidinesuccinic acid, dimethyl ester
CID 140050
4-(2-Methoxyethoxy)-3-(morpholin-4-yl)-4-oxobutanoic acid
CID 3161128
Dimethyl 2,3-dimorpholin-4-ylbutanedioate
CID 2824790

Frequently Asked Questions

What is the IUPAC name of diethyl 2-morpholin-4-ylbutanedioate?
The IUPAC name of diethyl 2-morpholin-4-ylbutanedioate (CID 10729980) is diethyl 2-morpholin-4-ylbutanedioate.
What is the SMILES notation for diethyl 2-morpholin-4-ylbutanedioate?
The canonical SMILES for diethyl 2-morpholin-4-ylbutanedioate is CCOC(=O)CC(C(=O)OCC)N1CCOCC1.
What is the InChIKey of diethyl 2-morpholin-4-ylbutanedioate?
The InChIKey is HUIMGAJKIXSLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-3-17-11(14)9-10(12(15)18-4-2)13-5-7-16-8-6-13/h10H,3-9H2,1-2H3.
What are the key properties of diethyl 2-morpholin-4-ylbutanedioate?
diethyl 2-morpholin-4-ylbutanedioate has a molecular weight of 259.30 g/mol, XLogP of 0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-morpholin-4-ylbutanedioate is sourced from PubChem (CID 10729980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).