(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid

C14H14N2O2 — CID 131872302

IUPAC(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
SMILESN[C@H](Cc1ccc(-c2cccnc2)cc1)C(=O)O
InChIInChI=1S/C14H14N2O2/c15-13(14(17)18)8-10-3-5-11(6-4-10)12-2-1-7-16-9-12/h1-7,9,13H,8,15H2,(H,17,18)/t13-/m1/s1
InChIKeyHWAKOCNTLFYOFR-CYBMUJFWSA-N
MW242.28 g/mol
LogP1.70
Rot. Bonds4

About (2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid

(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid (PubChem CID 131872302) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
PubChem CID131872302
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
SMILESN[C@H](Cc1ccc(-c2cccnc2)cc1)C(=O)O
InChIInChI=1S/C14H14N2O2/c15-13(14(17)18)8-10-3-5-11(6-4-10)12-2-1-7-16-9-12/h1-7,9,13H,8,15H2,(H,17,18)/t13-/m1/s1
InChIKeyHWAKOCNTLFYOFR-CYBMUJFWSA-N
XLogP1.70
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid
CID 171702919
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid
CID 169025030
2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
CID 77129112
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
(2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid
CID 146352508
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid
CID 172530060
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741
(2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile
CID 68774707
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 19094367

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid (CID 131872302) is (2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid is N[C@H](Cc1ccc(-c2cccnc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid?
The InChIKey is HWAKOCNTLFYOFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-13(14(17)18)8-10-3-5-11(6-4-10)12-2-1-7-16-9-12/h1-7,9,13H,8,15H2,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid?
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid has a molecular weight of 242.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid is sourced from PubChem (CID 131872302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).