(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid

C19H20N2O5 — CID 125151027

IUPAC(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid
SMILESCc1cccc(Cn2cccc(C(=O)N3CCOC[C@@H]3C(=O)O)c2=O)c1
InChIInChI=1S/C19H20N2O5/c1-13-4-2-5-14(10-13)11-20-7-3-6-15(17(20)22)18(23)21-8-9-26-12-16(21)19(24)25/h2-7,10,16H,8-9,11-12H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyHKNIPTIFIKFCKC-MRXNPFEDSA-N
MW356.38 g/mol
LogP1.13
Rot. Bonds4

About (3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid

(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid (PubChem CID 125151027) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid
PubChem CID125151027
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid
SMILESCc1cccc(Cn2cccc(C(=O)N3CCOC[C@@H]3C(=O)O)c2=O)c1
InChIInChI=1S/C19H20N2O5/c1-13-4-2-5-14(10-13)11-20-7-3-6-15(17(20)22)18(23)21-8-9-26-12-16(21)19(24)25/h2-7,10,16H,8-9,11-12H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyHKNIPTIFIKFCKC-MRXNPFEDSA-N
XLogP1.13
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 126786953
3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 95584378
3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256185
3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 52539460
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 115730889
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-N-phenylpyridine-3-carboxamide
CID 7598420
potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate
CID 167838857
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
4-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]morpholine-3-carboxylic acid
CID 114608930
(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125153512

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid (CID 125151027) is (3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid is Cc1cccc(Cn2cccc(C(=O)N3CCOC[C@@H]3C(=O)O)c2=O)c1.
What is the InChIKey of (3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is HKNIPTIFIKFCKC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13-4-2-5-14(10-13)11-20-7-3-6-15(17(20)22)18(23)21-8-9-26-12-16(21)19(24)25/h2-7,10,16H,8-9,11-12H2,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of (3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid?
(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125151027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).