(2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid

C23H19N3O3 — CID 70040319

IUPAC(2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(Oc2nc(-c3ccccc3)cc3ccncc23)cc1)C(=O)O
InChIInChI=1S/C23H19N3O3/c24-20(23(27)28)12-15-6-8-18(9-7-15)29-22-19-14-25-11-10-17(19)13-21(26-22)16-4-2-1-3-5-16/h1-11,13-14,20H,12,24H2,(H,27,28)/t20-/m0/s1
InChIKeyIRJMEZWCFPSUHI-FQEVSTJZSA-N
MW385.42 g/mol
LogP4.04
Rot. Bonds6

About (2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid

(2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid (PubChem CID 70040319) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid
PubChem CID70040319
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name(2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(Oc2nc(-c3ccccc3)cc3ccncc23)cc1)C(=O)O
InChIInChI=1S/C23H19N3O3/c24-20(23(27)28)12-15-6-8-18(9-7-15)29-22-19-14-25-11-10-17(19)13-21(26-22)16-4-2-1-3-5-16/h1-11,13-14,20H,12,24H2,(H,27,28)/t20-/m0/s1
InChIKeyIRJMEZWCFPSUHI-FQEVSTJZSA-N
XLogP4.04
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid with MolForge

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Related Compounds

(2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid
CID 20575783
(2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid;dihydrochloride
CID 70038332
methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate
CID 69331356
(2S)-2-(methylamino)-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoic acid
CID 69331358
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
(2S)-2-[[2-(diethylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid
CID 10205680
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
(2S)-2-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid
CID 20575802
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid
CID 146445500
2-amino-3-(2-phenylquinolin-6-yl)propanoic acid
CID 90896454

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid (CID 70040319) is (2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid is N[C@@H](Cc1ccc(Oc2nc(-c3ccccc3)cc3ccncc23)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid?
The InChIKey is IRJMEZWCFPSUHI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19N3O3/c24-20(23(27)28)12-15-6-8-18(9-7-15)29-22-19-14-25-11-10-17(19)13-21(26-22)16-4-2-1-3-5-16/h1-11,13-14,20H,12,24H2,(H,27,28)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid?
(2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid has a molecular weight of 385.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[(3-phenyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid is sourced from PubChem (CID 70040319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).