(2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid

C15H15N3O3 — CID 23646969

IUPAC(2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid
SMILESN[C@H](COc1cncc(/C=C/c2ccncc2)c1)C(=O)O
InChIInChI=1S/C15H15N3O3/c16-14(15(19)20)10-21-13-7-12(8-18-9-13)2-1-11-3-5-17-6-4-11/h1-9,14H,10,16H2,(H,19,20)/b2-1+/t14-/m1/s1
InChIKeyONQVTFXSEPTWRK-VSZDKKFSSA-N
MW285.30 g/mol
LogP1.44
Rot. Bonds6

About (2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid

(2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid (PubChem CID 23646969) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid
PubChem CID23646969
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid
SMILESN[C@H](COc1cncc(/C=C/c2ccncc2)c1)C(=O)O
InChIInChI=1S/C15H15N3O3/c16-14(15(19)20)10-21-13-7-12(8-18-9-13)2-1-11-3-5-17-6-4-11/h1-9,14H,10,16H2,(H,19,20)/b2-1+/t14-/m1/s1
InChIKeyONQVTFXSEPTWRK-VSZDKKFSSA-N
XLogP1.44
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid (CID 23646969) is (2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid is N[C@H](COc1cncc(/C=C/c2ccncc2)c1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid?
The InChIKey is ONQVTFXSEPTWRK-VSZDKKFSSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-14(15(19)20)10-21-13-7-12(8-18-9-13)2-1-11-3-5-17-6-4-11/h1-9,14H,10,16H2,(H,19,20)/b2-1+/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid?
(2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propanoic acid is sourced from PubChem (CID 23646969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).