3-(pyridin-2-ylamino)hexanoic acid

C11H16N2O2 — CID 121217127

IUPAC3-(pyridin-2-ylamino)hexanoic acid
SMILESCCCC(CC(=O)O)Nc1ccccn1
InChIInChI=1S/C11H16N2O2/c1-2-5-9(8-11(14)15)13-10-6-3-4-7-12-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,12,13)(H,14,15)
InChIKeyKVNYWHWLLZAEBT-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.14
Rot. Bonds6

About 3-(pyridin-2-ylamino)hexanoic acid

3-(pyridin-2-ylamino)hexanoic acid (PubChem CID 121217127) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(pyridin-2-ylamino)hexanoic acid.

Molecular Properties

Compound Name3-(pyridin-2-ylamino)hexanoic acid
PubChem CID121217127
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(pyridin-2-ylamino)hexanoic acid
SMILESCCCC(CC(=O)O)Nc1ccccn1
InChIInChI=1S/C11H16N2O2/c1-2-5-9(8-11(14)15)13-10-6-3-4-7-12-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,12,13)(H,14,15)
InChIKeyKVNYWHWLLZAEBT-UHFFFAOYSA-N
XLogP2.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(pyridin-2-ylamino)hexanoic 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

N-tridecan-6-ylpyridin-2-amine
CID 170412016
1-N'-pyridin-2-ylbutane-1,1-diamine
CID 22118535
diethyl 2-(pyridin-2-ylamino)butanedioate
CID 177223404
3-methyl-4-(pyridin-2-ylamino)butanoic acid
CID 115219759
2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
CID 70348749
3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 64895452
N-methyl-3-(pyridin-2-ylamino)butanamide
CID 126986948
2-(pyridin-2-ylcarbamoylamino)hexanoic acid
CID 110491750
6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
CID 134329104
2-(carboxymethoxy)-2-(pyridin-2-ylamino)acetic acid
CID 69470783
(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid
CID 118492943
ethyl 3-anilinohexanoate
CID 10354056

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylamino)hexanoic acid?
The IUPAC name of 3-(pyridin-2-ylamino)hexanoic acid (CID 121217127) is 3-(pyridin-2-ylamino)hexanoic acid.
What is the SMILES notation for 3-(pyridin-2-ylamino)hexanoic acid?
The canonical SMILES for 3-(pyridin-2-ylamino)hexanoic acid is CCCC(CC(=O)O)Nc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylamino)hexanoic acid?
The InChIKey is KVNYWHWLLZAEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-5-9(8-11(14)15)13-10-6-3-4-7-12-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(pyridin-2-ylamino)hexanoic acid?
3-(pyridin-2-ylamino)hexanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylamino)hexanoic acid is sourced from PubChem (CID 121217127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).