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

C25H26N2O4 — CID 138606868

IUPAC(2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid
SMILESCOc1nc(/C=C/c2cccc(-c3ccccc3)c2C)ccc1CN[C@H](CO)C(=O)O
InChIInChI=1S/C25H26N2O4/c1-17-18(9-6-10-22(17)19-7-4-3-5-8-19)11-13-21-14-12-20(24(27-21)31-2)15-26-23(16-28)25(29)30/h3-14,23,26,28H,15-16H2,1-2H3,(H,29,30)/b13-11+/t23-/m1/s1
InChIKeyWRBVHWJUVZKTFH-ABSORMQESA-N
MW418.49 g/mol
LogP3.77
Rot. Bonds9

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

(2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid (PubChem CID 138606868) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid
PubChem CID138606868
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name(2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid
SMILESCOc1nc(/C=C/c2cccc(-c3ccccc3)c2C)ccc1CN[C@H](CO)C(=O)O
InChIInChI=1S/C25H26N2O4/c1-17-18(9-6-10-22(17)19-7-4-3-5-8-19)11-13-21-14-12-20(24(27-21)31-2)15-26-23(16-28)25(29)30/h3-14,23,26,28H,15-16H2,1-2H3,(H,29,30)/b13-11+/t23-/m1/s1
InChIKeyWRBVHWJUVZKTFH-ABSORMQESA-N
XLogP3.77
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

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
(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
(2S)-3-hydroxy-2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propanoic acid
CID 166635389
(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 (2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid (CID 138606868) is (2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid is COc1nc(/C=C/c2cccc(-c3ccccc3)c2C)ccc1CN[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid?
The InChIKey is WRBVHWJUVZKTFH-ABSORMQESA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-18(9-6-10-22(17)19-7-4-3-5-8-19)11-13-21-14-12-20(24(27-21)31-2)15-26-23(16-28)25(29)30/h3-14,23,26,28H,15-16H2,1-2H3,(H,29,30)/b13-11+/t23-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid?
(2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid has a molecular weight of 418.49 g/mol, XLogP of 3.77, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[2-methoxy-6-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid is sourced from PubChem (CID 138606868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).