(2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid

C23H24N2O4 — CID 166635389

IUPAC(2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CN[C@@H](CO)C(=O)O
InChIInChI=1S/C23H24N2O4/c1-15-18(16-7-4-3-5-8-16)9-6-10-19(15)20-12-11-17(22(25-20)29-2)13-24-21(14-26)23(27)28/h3-12,21,24,26H,13-14H2,1-2H3,(H,27,28)/t21-/m0/s1
InChIKeyWSTYBCHWQJAOGO-NRFANRHFSA-N
MW392.46 g/mol
LogP3.27
Rot. Bonds8

About (2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid

(2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid (PubChem CID 166635389) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid
PubChem CID166635389
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CN[C@@H](CO)C(=O)O
InChIInChI=1S/C23H24N2O4/c1-15-18(16-7-4-3-5-8-16)9-6-10-19(15)20-12-11-17(22(25-20)29-2)13-24-21(14-26)23(27)28/h3-12,21,24,26H,13-14H2,1-2H3,(H,27,28)/t21-/m0/s1
InChIKeyWSTYBCHWQJAOGO-NRFANRHFSA-N
XLogP3.27
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid with MolForge

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Related Compounds

6-[4-(4-Isopropylamino-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 10387303
PD-1/PD-L1-IN-9
CID 155925913
2-[[2-Methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl-methylamino]ethanol
CID 166626686
2-[[2-Methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol
CID 166626967
N-(2-hydroxyethyl)-2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxamide
CID 166627372
(2S)-2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]-3-hydroxypropanoic acid
CID 166631932
3-[[2-Methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol
CID 166632561
(2R)-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol
CID 166633319
N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 166634712
N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide
CID 166634812
(3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol
CID 166635513
(2R)-3-hydroxy-2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid
CID 162657958

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid (CID 166635389) is (2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid is COc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CN[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid?
The InChIKey is WSTYBCHWQJAOGO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-18(16-7-4-3-5-8-16)9-6-10-19(15)20-12-11-17(22(25-20)29-2)13-24-21(14-26)23(27)28/h3-12,21,24,26H,13-14H2,1-2H3,(H,27,28)/t21-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid?
(2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid has a molecular weight of 392.46 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid is sourced from PubChem (CID 166635389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).