3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid

C14H14N2O2 — CID 81009067

IUPAC3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid
SMILESNc1ccncc1CC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H14N2O2/c15-13-6-7-16-9-11(13)8-12(14(17)18)10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H2,15,16)(H,17,18)
InChIKeyJIGQEQWLAXKBOD-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.07
Rot. Bonds4

About 3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid

3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid (PubChem CID 81009067) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid
PubChem CID81009067
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid
SMILESNc1ccncc1CC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H14N2O2/c15-13-6-7-16-9-11(13)8-12(14(17)18)10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H2,15,16)(H,17,18)
InChIKeyJIGQEQWLAXKBOD-UHFFFAOYSA-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

Analyze 3-(4-amino-3-pyridinyl)-2-phenylpropanoic 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

3-isoquinolin-4-yl-2-phenylpropanoic acid
CID 81008724
3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756787
3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one
CID 116751778
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
2-phenyl-3-quinolin-4-ylpropanoic acid
CID 79422879
3-(3-chloro-3-phenylpropyl)pyridin-4-amine
CID 64507336
2-(2-carboxy-2-phenylethyl)benzoic acid
CID 67665092
(2S)-2,3-diphenylpropanoic acid
CID 737125
(2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid
CID 39346452
3-(phenylsulfanylmethyl)pyridin-4-amine
CID 105470275
3-(4-amino-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882113
1-(4-amino-3-pyridinyl)-3-(2-bromophenyl)sulfanylpropan-2-one
CID 66144236

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid?
The IUPAC name of 3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid (CID 81009067) is 3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid is Nc1ccncc1CC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid?
The InChIKey is JIGQEQWLAXKBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-13-6-7-16-9-11(13)8-12(14(17)18)10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H2,15,16)(H,17,18).
What are the key properties of 3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid?
3-(4-amino-3-pyridinyl)-2-phenylpropanoic 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 3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid is sourced from PubChem (CID 81009067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).