(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid

C14H14N2O2 — CID 169025030

IUPAC(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid
SMILESN[C@@H](Cc1cncc(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C14H14N2O2/c15-13(14(17)18)7-10-6-12(9-16-8-10)11-4-2-1-3-5-11/h1-6,8-9,13H,7,15H2,(H,17,18)/t13-/m0/s1
InChIKeyFNEZGDNAXRHTHX-ZDUSSCGKSA-N
MW242.28 g/mol
LogP1.70
Rot. Bonds4

About (2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid

(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid (PubChem CID 169025030) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid
PubChem CID169025030
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid
SMILESN[C@@H](Cc1cncc(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C14H14N2O2/c15-13(14(17)18)7-10-6-12(9-16-8-10)11-4-2-1-3-5-11/h1-6,8-9,13H,7,15H2,(H,17,18)/t13-/m0/s1
InChIKeyFNEZGDNAXRHTHX-ZDUSSCGKSA-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

Analyze (2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid
CID 171702919
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
2-amino-3-(5-amino-3-pyridinyl)propanoic acid
CID 55283262
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
2-amino-3-(5-sulfanyl-3-pyridinyl)propanoic acid
CID 139022717
2-amino-3-(5-methyl-3-pyridinyl)propanoic acid
CID 55282394
(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride
CID 162344222
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid
CID 115044956
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid (CID 169025030) is (2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid is N[C@@H](Cc1cncc(-c2ccccc2)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid?
The InChIKey is FNEZGDNAXRHTHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-13(14(17)18)7-10-6-12(9-16-8-10)11-4-2-1-3-5-11/h1-6,8-9,13H,7,15H2,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid?
(2S)-2-amino-3-(5-phenyl-3-pyridinyl)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 (2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 169025030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).