2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid

C18H18N2O5 — CID 95711057

IUPAC2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H18N2O5/c21-16(22)10-13-11-25-9-8-20(13)18(24)14-6-7-15(19-17(14)23)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,19,23)(H,21,22)/t13-/m1/s1
InChIKeyZGYPLTCRFYHIDY-CYBMUJFWSA-N
MW342.35 g/mol
LogP1.36
Rot. Bonds4

About 2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid

2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 95711057) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid
PubChem CID95711057
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H18N2O5/c21-16(22)10-13-11-25-9-8-20(13)18(24)14-6-7-15(19-17(14)23)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,19,23)(H,21,22)/t13-/m1/s1
InChIKeyZGYPLTCRFYHIDY-CYBMUJFWSA-N
XLogP1.36
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid
CID 114040095
2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107013727
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
2-[(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholin-3-yl]acetic acid
CID 124572832
2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
CID 81266026
2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469902
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid
CID 129469777
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid (CID 95711057) is 2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid is O=C(O)C[C@@H]1COCCN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is ZGYPLTCRFYHIDY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-16(22)10-13-11-25-9-8-20(13)18(24)14-6-7-15(19-17(14)23)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,19,23)(H,21,22)/t13-/m1/s1.
What are the key properties of 2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid?
2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 342.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 95711057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).