(2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid

C24H24N2O6 — CID 58822795

IUPAC(2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid
SMILESCO[C@@H](Cc1ccc(OCCOc2ccc(NC(=O)c3cccnc3)cc2)cc1)C(=O)O
InChIInChI=1S/C24H24N2O6/c1-30-22(24(28)29)15-17-4-8-20(9-5-17)31-13-14-32-21-10-6-19(7-11-21)26-23(27)18-3-2-12-25-16-18/h2-12,16,22H,13-15H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1
InChIKeyXFIIAKUNLKRIJF-QFIPXVFZSA-N
MW436.46 g/mol
LogP3.43
Rot. Bonds11

About (2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid

(2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid (PubChem CID 58822795) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is (2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid
PubChem CID58822795
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name(2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid
SMILESCO[C@@H](Cc1ccc(OCCOc2ccc(NC(=O)c3cccnc3)cc2)cc1)C(=O)O
InChIInChI=1S/C24H24N2O6/c1-30-22(24(28)29)15-17-4-8-20(9-5-17)31-13-14-32-21-10-6-19(7-11-21)26-23(27)18-3-2-12-25-16-18/h2-12,16,22H,13-15H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1
InChIKeyXFIIAKUNLKRIJF-QFIPXVFZSA-N
XLogP3.43
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid 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-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoic acid
CID 3025998
(2S)-3-[4-(2-hydroxyethoxy)phenyl]-2-methoxypropanoic acid
CID 69421095
(2S)-2-methoxy-3-[4-[3-(4-methoxycarbonylphenoxy)propoxy]phenyl]propanoic acid
CID 69423428
(2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid
CID 71207526
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
2-methoxy-3-[4-[3-[3-(methylamino)phenoxy]propoxy]phenyl]propanoic acid
CID 142194165
N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide
CID 13219174
N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120596241
N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925558
methyl (2S)-3-[4-[(4-hydroxybenzoyl)amino]phenyl]-2-(pyridine-3-carbonylamino)propanoate
CID 102573921

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid?
The IUPAC name of (2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid (CID 58822795) is (2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid is CO[C@@H](Cc1ccc(OCCOc2ccc(NC(=O)c3cccnc3)cc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid?
The InChIKey is XFIIAKUNLKRIJF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-30-22(24(28)29)15-17-4-8-20(9-5-17)31-13-14-32-21-10-6-19(7-11-21)26-23(27)18-3-2-12-25-16-18/h2-12,16,22H,13-15H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1.
What are the key properties of (2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid?
(2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid has a molecular weight of 436.46 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 58822795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).