(6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid

C17H21NO6 — CID 120689588

IUPAC(6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid
SMILESCOc1ccc(C(=O)CCC(=O)N2CC(C(=O)O)O[C@H](C)C2)cc1
InChIInChI=1S/C17H21NO6/c1-11-9-18(10-15(24-11)17(21)22)16(20)8-7-14(19)12-3-5-13(23-2)6-4-12/h3-6,11,15H,7-10H2,1-2H3,(H,21,22)/t11-,15?/m1/s1
InChIKeySATMFSYKMSJXJT-ZRKZCGFPSA-N
MW335.36 g/mol
LogP1.36
Rot. Bonds6

About (6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid

(6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid (PubChem CID 120689588) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is (6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid
PubChem CID120689588
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Name(6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid
SMILESCOc1ccc(C(=O)CCC(=O)N2CC(C(=O)O)O[C@H](C)C2)cc1
InChIInChI=1S/C17H21NO6/c1-11-9-18(10-15(24-11)17(21)22)16(20)8-7-14(19)12-3-5-13(23-2)6-4-12/h3-6,11,15H,7-10H2,1-2H3,(H,21,22)/t11-,15?/m1/s1
InChIKeySATMFSYKMSJXJT-ZRKZCGFPSA-N
XLogP1.36
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid with MolForge

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Related Compounds

1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 110629105
ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
CID 6620519
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 70770529
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119374647
(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid
CID 120684511
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 120742100
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 133125787
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 31466785
(6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120689579
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone
CID 7082114
1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
CID 55683627

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid (CID 120689588) is (6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid is COc1ccc(C(=O)CCC(=O)N2CC(C(=O)O)O[C@H](C)C2)cc1.
What is the InChIKey of (6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid?
The InChIKey is SATMFSYKMSJXJT-ZRKZCGFPSA-N. The full InChI is InChI=1S/C17H21NO6/c1-11-9-18(10-15(24-11)17(21)22)16(20)8-7-14(19)12-3-5-13(23-2)6-4-12/h3-6,11,15H,7-10H2,1-2H3,(H,21,22)/t11-,15?/m1/s1.
What are the key properties of (6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid?
(6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 120689588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).