(6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid

C20H22N2O5 — CID 120536231

IUPAC(6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(OCc2cccc(C(=O)N3CC(C(=O)O)O[C@H](C)C3)c2)cn1
InChIInChI=1S/C20H22N2O5/c1-13-6-7-17(9-21-13)26-12-15-4-3-5-16(8-15)19(23)22-10-14(2)27-18(11-22)20(24)25/h3-9,14,18H,10-12H2,1-2H3,(H,24,25)/t14-,18?/m1/s1
InChIKeyFWHBPWXLPKWWAL-IKJXHCRLSA-N
MW370.41 g/mol
LogP2.28
Rot. Bonds5

About (6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid

(6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid (PubChem CID 120536231) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is (6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid
PubChem CID120536231
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name(6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(OCc2cccc(C(=O)N3CC(C(=O)O)O[C@H](C)C3)c2)cn1
InChIInChI=1S/C20H22N2O5/c1-13-6-7-17(9-21-13)26-12-15-4-3-5-16(8-15)19(23)22-10-14(2)27-18(11-22)20(24)25/h3-9,14,18H,10-12H2,1-2H3,(H,24,25)/t14-,18?/m1/s1
InChIKeyFWHBPWXLPKWWAL-IKJXHCRLSA-N
XLogP2.28
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid with MolForge

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Related Compounds

(6R)-6-methyl-4-(2-phenylmethoxypyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 120536224
1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119355401
[4-(1-aminoethyl)piperidin-1-yl]-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methanone
CID 119517657
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8815293
[4-(1-aminoethyl)piperidin-1-yl]-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methanone;dihydrochloride
CID 119517656
1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
CID 120530535
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 86950753
(6R)-6-methyl-4-(3-methylpyridine-2-carbonyl)morpholine-2-carboxylic acid
CID 120536159
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
CID 95277197
(2,6-dimethylmorpholin-4-yl)-[3-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830488
3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid
CID 120535893
(3S,4S)-1-[3-(pyridin-3-ylmethoxy)benzoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951216

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of (6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid (CID 120536231) is (6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid is Cc1ccc(OCc2cccc(C(=O)N3CC(C(=O)O)O[C@H](C)C3)c2)cn1.
What is the InChIKey of (6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid?
The InChIKey is FWHBPWXLPKWWAL-IKJXHCRLSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13-6-7-17(9-21-13)26-12-15-4-3-5-16(8-15)19(23)22-10-14(2)27-18(11-22)20(24)25/h3-9,14,18H,10-12H2,1-2H3,(H,24,25)/t14-,18?/m1/s1.
What are the key properties of (6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid?
(6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 120536231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).