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

C11H16N2O2 — CID 118492903

IUPAC(3S)-3-(pyridin-2-ylamino)hexanoic acid
SMILESCCC[C@@H](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)/t9-/m0/s1
InChIKeyKVNYWHWLLZAEBT-VIFPVBQESA-N
MW208.26 g/mol
LogP2.14
Rot. Bonds6

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

(3S)-3-(pyridin-2-ylamino)hexanoic acid (PubChem CID 118492903) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3S)-3-(pyridin-2-ylamino)hexanoic acid.

Molecular Properties

Compound Name(3S)-3-(pyridin-2-ylamino)hexanoic acid
PubChem CID118492903
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3S)-3-(pyridin-2-ylamino)hexanoic acid
SMILESCCC[C@@H](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)/t9-/m0/s1
InChIKeyKVNYWHWLLZAEBT-VIFPVBQESA-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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(pyridin-2-ylamino)hexanoic acid?
The IUPAC name of (3S)-3-(pyridin-2-ylamino)hexanoic acid (CID 118492903) is (3S)-3-(pyridin-2-ylamino)hexanoic acid.
What is the SMILES notation for (3S)-3-(pyridin-2-ylamino)hexanoic acid?
The canonical SMILES for (3S)-3-(pyridin-2-ylamino)hexanoic acid is CCC[C@@H](CC(=O)O)Nc1ccccn1.
What is the InChIKey of (3S)-3-(pyridin-2-ylamino)hexanoic acid?
The InChIKey is KVNYWHWLLZAEBT-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of (3S)-3-(pyridin-2-ylamino)hexanoic acid?
(3S)-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 (3S)-3-(pyridin-2-ylamino)hexanoic acid is sourced from PubChem (CID 118492903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).