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

C15H18ClNO5 — CID 120689579

IUPAC(6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid
SMILESCOc1cccc(Cl)c1CC(=O)N1CC(C(=O)O)O[C@H](C)C1
InChIInChI=1S/C15H18ClNO5/c1-9-7-17(8-13(22-9)15(19)20)14(18)6-10-11(16)4-3-5-12(10)21-2/h3-5,9,13H,6-8H2,1-2H3,(H,19,20)/t9-,13?/m1/s1
InChIKeyXPRARKCSIDORKE-CGCSKFHYSA-N
MW327.76 g/mol
LogP1.59
Rot. Bonds4

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

(6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid (PubChem CID 120689579) has the molecular formula C15H18ClNO5 and a molecular weight of 327.76 g/mol. Its IUPAC name is (6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid
PubChem CID120689579
Molecular FormulaC15H18ClNO5
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name(6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid
SMILESCOc1cccc(Cl)c1CC(=O)N1CC(C(=O)O)O[C@H](C)C1
InChIInChI=1S/C15H18ClNO5/c1-9-7-17(8-13(22-9)15(19)20)14(18)6-10-11(16)4-3-5-12(10)21-2/h3-5,9,13H,6-8H2,1-2H3,(H,19,20)/t9-,13?/m1/s1
InChIKeyXPRARKCSIDORKE-CGCSKFHYSA-N
XLogP1.59
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 120684308
(6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536282
(6R)-4-[2-(2-chloro-4-nitrophenyl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536229
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 973581
1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 113456615
5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 103291819
(6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid
CID 120689588
3-(2-chloro-6-methoxyphenyl)-2-oxopropanoic acid
CID 104816509
2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 119579172
2-(2-chloro-6-methoxyphenyl)-N-cyclohexylacetamide
CID 69037841
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 103293154
2-[2-(2-chloro-6-methoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 120686665

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid (CID 120689579) is (6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid is COc1cccc(Cl)c1CC(=O)N1CC(C(=O)O)O[C@H](C)C1.
What is the InChIKey of (6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid?
The InChIKey is XPRARKCSIDORKE-CGCSKFHYSA-N. The full InChI is InChI=1S/C15H18ClNO5/c1-9-7-17(8-13(22-9)15(19)20)14(18)6-10-11(16)4-3-5-12(10)21-2/h3-5,9,13H,6-8H2,1-2H3,(H,19,20)/t9-,13?/m1/s1.
What are the key properties of (6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid?
(6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid has a molecular weight of 327.76 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 120689579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).