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

C10H14N2O2 — CID 28830364

IUPAC3-(2-pyridin-2-ylethylamino)propanoic acid
SMILESO=C(O)CCNCCc1ccccn1
InChIInChI=1S/C10H14N2O2/c13-10(14)5-8-11-7-4-9-3-1-2-6-12-9/h1-3,6,11H,4-5,7-8H2,(H,13,14)
InChIKeyNKNYGLRPJRASAH-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.69
Rot. Bonds6

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

3-(2-pyridin-2-ylethylamino)propanoic acid (PubChem CID 28830364) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethylamino)propanoic acid
PubChem CID28830364
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(2-pyridin-2-ylethylamino)propanoic acid
SMILESO=C(O)CCNCCc1ccccn1
InChIInChI=1S/C10H14N2O2/c13-10(14)5-8-11-7-4-9-3-1-2-6-12-9/h1-3,6,11H,4-5,7-8H2,(H,13,14)
InChIKeyNKNYGLRPJRASAH-UHFFFAOYSA-N
XLogP0.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(pyridin-2-ylmethylamino)methylamino]ethylamino]propanoic acid
CID 54141487
6-(2-pyridin-2-ylethylcarbamoylamino)hexanoic acid
CID 61185229
acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine
CID 71328789
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine
CID 144713805
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
CID 115123641
5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
CID 123323650
3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid
CID 122019003
2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid
CID 118909984
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethylamino)propanoic acid?
The IUPAC name of 3-(2-pyridin-2-ylethylamino)propanoic acid (CID 28830364) is 3-(2-pyridin-2-ylethylamino)propanoic acid.
What is the SMILES notation for 3-(2-pyridin-2-ylethylamino)propanoic acid?
The canonical SMILES for 3-(2-pyridin-2-ylethylamino)propanoic acid is O=C(O)CCNCCc1ccccn1.
What is the InChIKey of 3-(2-pyridin-2-ylethylamino)propanoic acid?
The InChIKey is NKNYGLRPJRASAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)5-8-11-7-4-9-3-1-2-6-12-9/h1-3,6,11H,4-5,7-8H2,(H,13,14).
What are the key properties of 3-(2-pyridin-2-ylethylamino)propanoic acid?
3-(2-pyridin-2-ylethylamino)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethylamino)propanoic acid is sourced from PubChem (CID 28830364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).