4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate

C11H19NO5 — CID 135016107

IUPAC4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate
SMILESCCOC(=O)CC(C(=O)OC)N1CCOCC1
InChIInChI=1S/C11H19NO5/c1-3-17-10(13)8-9(11(14)15-2)12-4-6-16-7-5-12/h9H,3-8H2,1-2H3
InChIKeyHJMLYSVURXWPFL-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.19
Rot. Bonds5

About 4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate

4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate (PubChem CID 135016107) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate.

Molecular Properties

Compound Name4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate
PubChem CID135016107
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate
SMILESCCOC(=O)CC(C(=O)OC)N1CCOCC1
InChIInChI=1S/C11H19NO5/c1-3-17-10(13)8-9(11(14)15-2)12-4-6-16-7-5-12/h9H,3-8H2,1-2H3
InChIKeyHJMLYSVURXWPFL-UHFFFAOYSA-N
XLogP-0.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.19
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)butanedioate
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
Dimethyl 2,3-dimorpholin-4-ylbutanedioate
CID 2824790
N,N-diethyl-d,l-aspartic acid dimethyl ester
CID 18801788

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate?
The IUPAC name of 4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate (CID 135016107) is 4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate.
What is the SMILES notation for 4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate?
The canonical SMILES for 4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate is CCOC(=O)CC(C(=O)OC)N1CCOCC1.
What is the InChIKey of 4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate?
The InChIKey is HJMLYSVURXWPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-17-10(13)8-9(11(14)15-2)12-4-6-16-7-5-12/h9H,3-8H2,1-2H3.
What are the key properties of 4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate?
4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate has a molecular weight of 245.27 g/mol, XLogP of -0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate is sourced from PubChem (CID 135016107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).