(2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid

C15H16N2O3 — CID 172529534

IUPAC(2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid
SMILESCOc1ccnc(-c2ccc(C[C@H](N)C(=O)O)cc2)c1
InChIInChI=1S/C15H16N2O3/c1-20-12-6-7-17-14(9-12)11-4-2-10(3-5-11)8-13(16)15(18)19/h2-7,9,13H,8,16H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyJZHITRIJIWMBAM-ZDUSSCGKSA-N
MW272.30 g/mol
LogP1.71
Rot. Bonds5

About (2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid

(2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid (PubChem CID 172529534) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid
PubChem CID172529534
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid
SMILESCOc1ccnc(-c2ccc(C[C@H](N)C(=O)O)cc2)c1
InChIInChI=1S/C15H16N2O3/c1-20-12-6-7-17-14(9-12)11-4-2-10(3-5-11)8-13(16)15(18)19/h2-7,9,13H,8,16H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyJZHITRIJIWMBAM-ZDUSSCGKSA-N
XLogP1.71
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]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

2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
CID 67243066
(2S)-2-amino-3-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanoic acid
CID 162650291
(2S)-2-amino-3-[4-[6-[2,2,2-trifluoro-1-[4-(4-methoxyphenoxy)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid
CID 25174875
(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 71742199
(2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid
CID 172530060
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid
CID 170879962
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid (CID 172529534) is (2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid is COc1ccnc(-c2ccc(C[C@H](N)C(=O)O)cc2)c1.
What is the InChIKey of (2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid?
The InChIKey is JZHITRIJIWMBAM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-12-6-7-17-14(9-12)11-4-2-10(3-5-11)8-13(16)15(18)19/h2-7,9,13H,8,16H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid?
(2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid is sourced from PubChem (CID 172529534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).