(2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid

C22H20N2O4 — CID 97259293

IUPAC(2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C22H20N2O4/c25-21(24-20(22(26)27)12-16-6-2-1-3-7-16)18-9-4-10-19(13-18)28-15-17-8-5-11-23-14-17/h1-11,13-14,20H,12,15H2,(H,24,25)(H,26,27)/t20-/m1/s1
InChIKeyJGLGMFHQGRAHAO-HXUWFJFHSA-N
MW376.41 g/mol
LogP3.09
Rot. Bonds8

About (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid

(2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid (PubChem CID 97259293) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
PubChem CID97259293
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C22H20N2O4/c25-21(24-20(22(26)27)12-16-6-2-1-3-7-16)18-9-4-10-19(13-18)28-15-17-8-5-11-23-14-17/h1-11,13-14,20H,12,15H2,(H,24,25)(H,26,27)/t20-/m1/s1
InChIKeyJGLGMFHQGRAHAO-HXUWFJFHSA-N
XLogP3.09
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid (CID 97259293) is (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid is O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid?
The InChIKey is JGLGMFHQGRAHAO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(24-20(22(26)27)12-16-6-2-1-3-7-16)18-9-4-10-19(13-18)28-15-17-8-5-11-23-14-17/h1-11,13-14,20H,12,15H2,(H,24,25)(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid?
(2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid has a molecular weight of 376.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 97259293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).