3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid

C11H16N2O3 — CID 103239880

IUPAC3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid
SMILESO=C(O)CC(O)CNCCc1cccnc1
InChIInChI=1S/C11H16N2O3/c14-10(6-11(15)16)8-13-5-3-9-2-1-4-12-7-9/h1-2,4,7,10,13-14H,3,5-6,8H2,(H,15,16)
InChIKeyXZYUQAQDWLCAEY-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.05
Rot. Bonds7

About 3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid

3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid (PubChem CID 103239880) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid
PubChem CID103239880
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid
SMILESO=C(O)CC(O)CNCCc1cccnc1
InChIInChI=1S/C11H16N2O3/c14-10(6-11(15)16)8-13-5-3-9-2-1-4-12-7-9/h1-2,4,7,10,13-14H,3,5-6,8H2,(H,15,16)
InChIKeyXZYUQAQDWLCAEY-UHFFFAOYSA-N
XLogP0.05
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
CID 64584041
1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 106989465
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
3,3-dimethyl-4-(2-pyridin-3-ylethylamino)butanoic acid
CID 115220433
3-methoxy-4-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 103158690
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60909003
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
4-[2-(2-bromophenyl)ethylamino]-3-hydroxybutanoic acid
CID 115123124

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid?
The IUPAC name of 3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid (CID 103239880) is 3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid is O=C(O)CC(O)CNCCc1cccnc1.
What is the InChIKey of 3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid?
The InChIKey is XZYUQAQDWLCAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-10(6-11(15)16)8-13-5-3-9-2-1-4-12-7-9/h1-2,4,7,10,13-14H,3,5-6,8H2,(H,15,16).
What are the key properties of 3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid?
3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid is sourced from PubChem (CID 103239880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).