2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid

C10H15N3O2 — CID 64584041

IUPAC2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
SMILESNC(CNCCc1cccnc1)C(=O)O
InChIInChI=1S/C10H15N3O2/c11-9(10(14)15)7-13-5-3-8-2-1-4-12-6-8/h1-2,4,6,9,13H,3,5,7,11H2,(H,14,15)
InChIKeySHFSSFQMTJHAQY-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.37
Rot. Bonds6

About 2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid

2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid (PubChem CID 64584041) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
PubChem CID64584041
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
SMILESNC(CNCCc1cccnc1)C(=O)O
InChIInChI=1S/C10H15N3O2/c11-9(10(14)15)7-13-5-3-8-2-1-4-12-6-8/h1-2,4,6,9,13H,3,5,7,11H2,(H,14,15)
InChIKeySHFSSFQMTJHAQY-UHFFFAOYSA-N
XLogP-0.37
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-3-(2-pyridin-3-ylethylamino)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

3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid
CID 103239880
2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid
CID 64583240
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid
CID 64582443
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-carbamoyl-2-(2-pyridin-3-ylethylamino)acetamide
CID 60913081
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid
CID 67328330
2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid
CID 115240811
(2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid
CID 14628128
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid?
The IUPAC name of 2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid (CID 64584041) is 2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid is NC(CNCCc1cccnc1)C(=O)O.
What is the InChIKey of 2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid?
The InChIKey is SHFSSFQMTJHAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-9(10(14)15)7-13-5-3-8-2-1-4-12-6-8/h1-2,4,6,9,13H,3,5,7,11H2,(H,14,15).
What are the key properties of 2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid?
2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid is sourced from PubChem (CID 64584041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).