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

C15H16N2O2 — CID 81009181

IUPAC4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid
SMILESNc1ncccc1CCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H16N2O2/c16-14-12(7-4-10-17-14)8-9-13(15(18)19)11-5-2-1-3-6-11/h1-7,10,13H,8-9H2,(H2,16,17)(H,18,19)
InChIKeyHYQSHQBMCOSIMT-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.46
Rot. Bonds5

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

4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid (PubChem CID 81009181) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid.

Molecular Properties

Compound Name4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid
PubChem CID81009181
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid
SMILESNc1ncccc1CCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H16N2O2/c16-14-12(7-4-10-17-14)8-9-13(15(18)19)11-5-2-1-3-6-11/h1-7,10,13H,8-9H2,(H2,16,17)(H,18,19)
InChIKeyHYQSHQBMCOSIMT-UHFFFAOYSA-N
XLogP2.46
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-amino-3-pyridinyl)-2-phenylbutanoic 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-4-(2-amino-3-pyridinyl)butanoic acid
CID 169024941
(2R)-4-(2-amino-4,5-dimethoxyphenyl)-2-phenylbutanoic acid
CID 125466047
3-(3-aminopentyl)pyridin-2-amine
CID 64505573
3-(3-bromopentyl)pyridin-2-amine
CID 64508308
sodium;4-amino-2-phenylbutanoic acid;hydride
CID 174638608
4-(1-ethylimidazol-2-yl)-2-phenylbutanoic acid
CID 81009407
1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one
CID 64503842
(2S)-2,5-diphenylpentanoic acid
CID 7054365
(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
CID 94724465
(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid
CID 125466189
(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid
CID 125466001
5-hydroxy-2-phenylpentanoic acid
CID 79006638

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid?
The IUPAC name of 4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid (CID 81009181) is 4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid.
What is the SMILES notation for 4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid?
The canonical SMILES for 4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid is Nc1ncccc1CCC(C(=O)O)c1ccccc1.
What is the InChIKey of 4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid?
The InChIKey is HYQSHQBMCOSIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-14-12(7-4-10-17-14)8-9-13(15(18)19)11-5-2-1-3-6-11/h1-7,10,13H,8-9H2,(H2,16,17)(H,18,19).
What are the key properties of 4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid?
4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid is sourced from PubChem (CID 81009181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).