2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid

C14H13N3O4 — CID 170879603

IUPAC2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1cccc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)O
InChIInChI=1S/C14H13N3O4/c15-12(14(18)19)8-10-4-2-6-13(16-10)9-3-1-5-11(7-9)17(20)21/h1-7,12H,8,15H2,(H,18,19)
InChIKeyNGXMEHRFUVLSSQ-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.61
Rot. Bonds5

About 2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid

2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid (PubChem CID 170879603) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid
PubChem CID170879603
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1cccc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)O
InChIInChI=1S/C14H13N3O4/c15-12(14(18)19)8-10-4-2-6-13(16-10)9-3-1-5-11(7-9)17(20)21/h1-7,12H,8,15H2,(H,18,19)
InChIKeyNGXMEHRFUVLSSQ-UHFFFAOYSA-N
XLogP1.61
TPSA119.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-3-[6-(3-nitrophenyl)-2-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

2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis(1,3-dinitrobenzene)
CID 175148271
2-[(3-nitrophenoxy)methyl]-6-phenylpyridine
CID 14479979
ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
CID 115917495
4-(3-nitrophenyl)-2-(phenoxymethyl)-1,3-thiazole
CID 9174104
(2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid
CID 55297066
5-(aminomethyl)-3-(3-nitrophenyl)-1H-pyridazin-6-one
CID 82446437
2-[3-(3-nitrophenyl)-6-oxo-1H-pyridazin-5-yl]acetic acid
CID 82446435
[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methanethiol
CID 82453456
2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7205900
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
[6-(3-nitrophenyl)-3-pyridinyl]methanol
CID 24729921
6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 20537499

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid (CID 170879603) is 2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid is NC(Cc1cccc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)O.
What is the InChIKey of 2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid?
The InChIKey is NGXMEHRFUVLSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c15-12(14(18)19)8-10-4-2-6-13(16-10)9-3-1-5-11(7-9)17(20)21/h1-7,12H,8,15H2,(H,18,19).
What are the key properties of 2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid?
2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid has a molecular weight of 287.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 170879603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).