[(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate

C20H23N3O4 — CID 100851644

IUPAC[(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
SMILESC[C@@H]1CN(c2ccc(C(=O)O[C@@H](C(N)=O)c3ccccc3)cn2)C[C@@H](C)O1
InChIInChI=1S/C20H23N3O4/c1-13-11-23(12-14(2)26-13)17-9-8-16(10-22-17)20(25)27-18(19(21)24)15-6-4-3-5-7-15/h3-10,13-14,18H,11-12H2,1-2H3,(H2,21,24)/t13-,14-,18-/m1/s1
InChIKeyMKOCXKRCGFTYBC-HBUWYVDXSA-N
MW369.42 g/mol
LogP2.08
Rot. Bonds5

About [(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate

[(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate (PubChem CID 100851644) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is [(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Name[(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
PubChem CID100851644
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name[(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
SMILESC[C@@H]1CN(c2ccc(C(=O)O[C@@H](C(N)=O)c3ccccc3)cn2)C[C@@H](C)O1
InChIInChI=1S/C20H23N3O4/c1-13-11-23(12-14(2)26-13)17-9-8-16(10-22-17)20(25)27-18(19(21)24)15-6-4-3-5-7-15/h3-10,13-14,18H,11-12H2,1-2H3,(H2,21,24)/t13-,14-,18-/m1/s1
InChIKeyMKOCXKRCGFTYBC-HBUWYVDXSA-N
XLogP2.08
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43071668
(2-amino-2-oxo-1-phenylethyl) 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16593272
prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
CID 97311380
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
CID 124859965
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320191
N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 94146461
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
CID 37319446
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718
N-(2-benzylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43068945
N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 37320361

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate?
The IUPAC name of [(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate (CID 100851644) is [(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for [(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for [(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate is C[C@@H]1CN(c2ccc(C(=O)O[C@@H](C(N)=O)c3ccccc3)cn2)C[C@@H](C)O1.
What is the InChIKey of [(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate?
The InChIKey is MKOCXKRCGFTYBC-HBUWYVDXSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-11-23(12-14(2)26-13)17-9-8-16(10-22-17)20(25)27-18(19(21)24)15-6-4-3-5-7-15/h3-10,13-14,18H,11-12H2,1-2H3,(H2,21,24)/t13-,14-,18-/m1/s1.
What are the key properties of [(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate?
[(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 100851644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).