(2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid

C24H27N3O4 — CID 162645242

IUPAC(2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid
SMILESCOc1cc(NCc2cccc(-c3ccccc3)c2C)ncc1CN[C@H](CO)C(=O)O
InChIInChI=1S/C24H27N3O4/c1-16-18(9-6-10-20(16)17-7-4-3-5-8-17)12-26-23-11-22(31-2)19(14-27-23)13-25-21(15-28)24(29)30/h3-11,14,21,25,28H,12-13,15H2,1-2H3,(H,26,27)(H,29,30)/t21-/m1/s1
InChIKeySNFFFWCFTPBGQW-OAQYLSRUSA-N
MW421.50 g/mol
LogP3.21
Rot. Bonds10

About (2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid

(2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid (PubChem CID 162645242) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid
PubChem CID162645242
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name(2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid
SMILESCOc1cc(NCc2cccc(-c3ccccc3)c2C)ncc1CN[C@H](CO)C(=O)O
InChIInChI=1S/C24H27N3O4/c1-16-18(9-6-10-20(16)17-7-4-3-5-8-17)12-26-23-11-22(31-2)19(14-27-23)13-25-21(15-28)24(29)30/h3-11,14,21,25,28H,12-13,15H2,1-2H3,(H,26,27)(H,29,30)/t21-/m1/s1
InChIKeySNFFFWCFTPBGQW-OAQYLSRUSA-N
XLogP3.21
TPSA103.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid with MolForge

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Related Compounds

5-[[[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]methyl]-N-[3-[3-[[5-[[[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
CID 155385006
(2R)-3-hydroxy-2-[[2-[(3-isocyanophenyl)methoxy]-5-methyl-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]propanoic acid
CID 169075422
3-hydroxy-2-[[2-methoxy-6-[2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid
CID 138606872
(2R)-2-[[5-methyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxyphenyl]methylamino]but-3-ene-1,3-diol
CID 170149009
2-[[4-(4-chlorophenyl)-2-methoxyphenyl]methylamino]-3-hydroxypropanoic acid
CID 175174509
2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol
CID 75470151
2-[[2,6-dimethoxy-4-[2-[3-(4-methoxyphenyl)-2-methylphenyl]ethenyl]phenyl]methylamino]-3-hydroxypropanoic acid
CID 166671788
2-[[4-[[3-[3-[3-[4-[[(1-carboxy-2-hydroxyethyl)amino]methyl]triazol-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxyphenyl]methylamino]-3-hydroxypropanoic acid
CID 174188564
(2S)-4-[6-[[3-[3-[[5-[[[(1S)-1-carboxy-2-hydroxyethyl]amino]methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]-2-(hydroxymethyl)butanoic acid;sulfane
CID 161386219
(2S)-2-[(2-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid
CID 167496485
(2S)-2-[[5-chloro-4-[(2-methyl-3-phenylphenyl)methoxy]-2-[(2-oxochromen-7-yl)methoxy]phenyl]methylamino]-3-hydroxypropanoic acid
CID 178074757
5-[(3R)-4-amino-3-(hydroxymethyl)-4-oxobutyl]-N-[3-[3-[2-[5-[[[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
CID 159120946

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid (CID 162645242) is (2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid is COc1cc(NCc2cccc(-c3ccccc3)c2C)ncc1CN[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid?
The InChIKey is SNFFFWCFTPBGQW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16-18(9-6-10-20(16)17-7-4-3-5-8-17)12-26-23-11-22(31-2)19(14-27-23)13-25-21(15-28)24(29)30/h3-11,14,21,25,28H,12-13,15H2,1-2H3,(H,26,27)(H,29,30)/t21-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid?
(2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid has a molecular weight of 421.50 g/mol, XLogP of 3.21, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid is sourced from PubChem (CID 162645242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).