6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid

C13H20N2O2 — CID 81405026

IUPAC6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
SMILESC[C@H](NCCCCCC(=O)O)c1cccnc1
InChIInChI=1S/C13H20N2O2/c1-11(12-6-5-8-14-10-12)15-9-4-2-3-7-13(16)17/h5-6,8,10-11,15H,2-4,7,9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeySZIKWLCQVUOLDX-NSHDSACASA-N
MW236.31 g/mol
LogP2.38
Rot. Bonds8

About 6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid

6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid (PubChem CID 81405026) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
PubChem CID81405026
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
SMILESC[C@H](NCCCCCC(=O)O)c1cccnc1
InChIInChI=1S/C13H20N2O2/c1-11(12-6-5-8-14-10-12)15-9-4-2-3-7-13(16)17/h5-6,8,10-11,15H,2-4,7,9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeySZIKWLCQVUOLDX-NSHDSACASA-N
XLogP2.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.38
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-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
5-(1-pyridin-3-ylethylamino)pentanamide
CID 103529775
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
N-methyl-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanamide
CID 81405194
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867
2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
CID 81405139
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid?
The IUPAC name of 6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid (CID 81405026) is 6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid?
The canonical SMILES for 6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid is C[C@H](NCCCCCC(=O)O)c1cccnc1.
What is the InChIKey of 6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid?
The InChIKey is SZIKWLCQVUOLDX-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(12-6-5-8-14-10-12)15-9-4-2-3-7-13(16)17/h5-6,8,10-11,15H,2-4,7,9H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid?
6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid is sourced from PubChem (CID 81405026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).