1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate

C13H23NO5 — CID 102412548

IUPAC1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate
SMILESCCOC(=O)C(C)(C)C(C(=O)OC)N1CCOCC1
InChIInChI=1S/C13H23NO5/c1-5-19-12(16)13(2,3)10(11(15)17-4)14-6-8-18-9-7-14/h10H,5-9H2,1-4H3
InChIKeyQBFZLPUAECMYSD-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.45
Rot. Bonds5

About 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate

1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate (PubChem CID 102412548) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate.

Molecular Properties

Compound Name1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate
PubChem CID102412548
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate
SMILESCCOC(=O)C(C)(C)C(C(=O)OC)N1CCOCC1
InChIInChI=1S/C13H23NO5/c1-5-19-12(16)13(2,3)10(11(15)17-4)14-6-8-18-9-7-14/h10H,5-9H2,1-4H3
InChIKeyQBFZLPUAECMYSD-UHFFFAOYSA-N
XLogP0.45
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.45
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
Triethyl 2-morpholino-1,1,2-ethanetricarboxylate
CID 3812720
Dimethyl 2-(4-methylpiperazin-1-yl)butanedioate
CID 4896716
L,D-morpholinosuccinic acid
CID 12615272
1-Piperidinesuccinic acid, dimethyl ester
CID 140050
4-(2-Methoxyethoxy)-3-(morpholin-4-yl)-4-oxobutanoic acid
CID 3161128
Diethyl 2-(dimethylamino)butanedioate
CID 85816862
Diethyl 2-(piperidin-1-yl)butanedioate
CID 284952
Maleic acid + morpholine
CID 7060825
1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate
CID 74936058
1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate
CID 102412549
4-O-ethyl 1-O-methyl 2-piperidin-1-ylbutanedioate
CID 121001707

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate?
The IUPAC name of 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate (CID 102412548) is 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate.
What is the SMILES notation for 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate?
The canonical SMILES for 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate is CCOC(=O)C(C)(C)C(C(=O)OC)N1CCOCC1.
What is the InChIKey of 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate?
The InChIKey is QBFZLPUAECMYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-5-19-12(16)13(2,3)10(11(15)17-4)14-6-8-18-9-7-14/h10H,5-9H2,1-4H3.
What are the key properties of 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate?
1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate has a molecular weight of 273.33 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 4-O-methyl 2,2-dimethyl-3-morpholin-4-ylbutanedioate is sourced from PubChem (CID 102412548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).