(2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid

C14H14N2O2 — CID 39346452

IUPAC(2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid
SMILESNc1ccc([C@H](Cc2ccncc2)C(=O)O)cc1
InChIInChI=1S/C14H14N2O2/c15-12-3-1-11(2-4-12)13(14(17)18)9-10-5-7-16-8-6-10/h1-8,13H,9,15H2,(H,17,18)/t13-/m0/s1
InChIKeyYYNUIRFXGLBDPS-ZDUSSCGKSA-N
MW242.28 g/mol
LogP2.07
Rot. Bonds4

About (2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid

(2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid (PubChem CID 39346452) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid
PubChem CID39346452
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid
SMILESNc1ccc([C@H](Cc2ccncc2)C(=O)O)cc1
InChIInChI=1S/C14H14N2O2/c15-12-3-1-11(2-4-12)13(14(17)18)9-10-5-7-16-8-6-10/h1-8,13H,9,15H2,(H,17,18)/t13-/m0/s1
InChIKeyYYNUIRFXGLBDPS-ZDUSSCGKSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid
CID 124549291
3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956018
2-(4-aminophenyl)-3-phenylpropanamide
CID 82020975
(2S)-2,3-diphenylpropanoic acid
CID 737125
2-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid
CID 83955719
3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid
CID 104572700
2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
CID 79019511
3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid
CID 81009067
2-(4-aminophenyl)-3-(3-methylthiophen-2-yl)propanoic acid
CID 83951611
3-methylsulfonyl-2-pyridin-4-ylpropanoic acid
CID 117246574
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid?
The IUPAC name of (2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid (CID 39346452) is (2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for (2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for (2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid is Nc1ccc([C@H](Cc2ccncc2)C(=O)O)cc1.
What is the InChIKey of (2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid?
The InChIKey is YYNUIRFXGLBDPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-12-3-1-11(2-4-12)13(14(17)18)9-10-5-7-16-8-6-10/h1-8,13H,9,15H2,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid?
(2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid has a molecular weight of 242.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 39346452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).