5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid

C18H18N2O4 — CID 124696561

IUPAC5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
SMILESC[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C18H18N2O4/c1-12-11-24-16(13-5-3-2-4-6-13)10-20(12)17(21)14-7-8-15(18(22)23)19-9-14/h2-9,12,16H,10-11H2,1H3,(H,22,23)/t12-,16+/m0/s1
InChIKeySETGJTWVDORCIF-BLLLJJGKSA-N
MW326.35 g/mol
LogP2.38
Rot. Bonds3

About 5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid

5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid (PubChem CID 124696561) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
PubChem CID124696561
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
SMILESC[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C18H18N2O4/c1-12-11-24-16(13-5-3-2-4-6-13)10-20(12)17(21)14-7-8-15(18(22)23)19-9-14/h2-9,12,16H,10-11H2,1H3,(H,22,23)/t12-,16+/m0/s1
InChIKeySETGJTWVDORCIF-BLLLJJGKSA-N
XLogP2.38
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dimethylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 43420937
(4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369319
(4-methoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369323
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124692496
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408
(3,5-dimethoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369324
5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119137416
[(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 97184797
[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 96511165
[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124711560
2-[4-[(2S,5R)-5-methyl-2-phenylmorpholine-4-carbonyl]triazol-1-yl]acetic acid
CID 166303132

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid (CID 124696561) is 5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid is C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is SETGJTWVDORCIF-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-11-24-16(13-5-3-2-4-6-13)10-20(12)17(21)14-7-8-15(18(22)23)19-9-14/h2-9,12,16H,10-11H2,1H3,(H,22,23)/t12-,16+/m0/s1.
What are the key properties of 5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid?
5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 124696561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).