6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid

C13H21NO6 — CID 115534065

IUPAC6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
SMILESCOC(=O)CC1CN(C(=O)CCCCC(=O)O)CCO1
InChIInChI=1S/C13H21NO6/c1-19-13(18)8-10-9-14(6-7-20-10)11(15)4-2-3-5-12(16)17/h10H,2-9H2,1H3,(H,16,17)
InChIKeyHSSUBEILYSNLKQ-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.42
Rot. Bonds7

About 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid

6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid (PubChem CID 115534065) has the molecular formula C13H21NO6 and a molecular weight of 287.31 g/mol. Its IUPAC name is 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
PubChem CID115534065
Molecular FormulaC13H21NO6
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
SMILESCOC(=O)CC1CN(C(=O)CCCCC(=O)O)CCO1
InChIInChI=1S/C13H21NO6/c1-19-13(18)8-10-9-14(6-7-20-10)11(15)4-2-3-5-12(16)17/h10H,2-9H2,1H3,(H,16,17)
InChIKeyHSSUBEILYSNLKQ-UHFFFAOYSA-N
XLogP0.42
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate
CID 115534258
methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate
CID 79807285
1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate
CID 79806978
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 79806979
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
CID 79806421
methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79812518
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid
CID 120687850
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate
CID 115535926

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid?
The IUPAC name of 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid (CID 115534065) is 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid.
What is the SMILES notation for 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid?
The canonical SMILES for 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid is COC(=O)CC1CN(C(=O)CCCCC(=O)O)CCO1.
What is the InChIKey of 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid?
The InChIKey is HSSUBEILYSNLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO6/c1-19-13(18)8-10-9-14(6-7-20-10)11(15)4-2-3-5-12(16)17/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid?
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid has a molecular weight of 287.31 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid is sourced from PubChem (CID 115534065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).