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

C12H21NO5 — CID 74936058

IUPAC1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate
SMILESCCOC(=O)C(C)C(C(=O)OC)N1CCOCC1
InChIInChI=1S/C12H21NO5/c1-4-18-11(14)9(2)10(12(15)16-3)13-5-7-17-8-6-13/h9-10H,4-8H2,1-3H3
InChIKeyNAHHIWUSWYNBEJ-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.06
Rot. Bonds5

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

1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate (PubChem CID 74936058) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate.

Molecular Properties

Compound Name1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate
PubChem CID74936058
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate
SMILESCCOC(=O)C(C)C(C(=O)OC)N1CCOCC1
InChIInChI=1S/C12H21NO5/c1-4-18-11(14)9(2)10(12(15)16-3)13-5-7-17-8-6-13/h9-10H,4-8H2,1-3H3
InChIKeyNAHHIWUSWYNBEJ-UHFFFAOYSA-N
XLogP0.06
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.06
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
Ethane-1,1,2,2-tetracarboxylic acid, 1-(4-morpholyl)-, tetramethyl ester
CID 625645
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
Dimethyl 2,3-dimorpholin-4-ylbutanedioate
CID 2824790
N,N-diethyl-d,l-aspartic acid dimethyl ester
CID 18801788
Diethyl 2-(dimethylamino)butanedioate
CID 85816862
Dipentyl 2-piperidin-1-ylbutanedioate
CID 3094195

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate?
The IUPAC name of 1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate (CID 74936058) is 1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate.
What is the SMILES notation for 1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate?
The canonical SMILES for 1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate is CCOC(=O)C(C)C(C(=O)OC)N1CCOCC1.
What is the InChIKey of 1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate?
The InChIKey is NAHHIWUSWYNBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-4-18-11(14)9(2)10(12(15)16-3)13-5-7-17-8-6-13/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate?
1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate has a molecular weight of 259.30 g/mol, XLogP of 0.06, 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-methyl-3-morpholin-4-ylbutanedioate is sourced from PubChem (CID 74936058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).