(2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid

C11H23N3O2 — CID 66666562

IUPAC(2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid
SMILESNCCCC[C@H](NN1CCCCC1)C(=O)O
InChIInChI=1S/C11H23N3O2/c12-7-3-2-6-10(11(15)16)13-14-8-4-1-5-9-14/h10,13H,1-9,12H2,(H,15,16)/t10-/m0/s1
InChIKeyATYKWLNQIWSKQT-JTQLQIEISA-N
MW229.32 g/mol
LogP0.56
Rot. Bonds7

About (2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid

(2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid (PubChem CID 66666562) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid
PubChem CID66666562
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid
SMILESNCCCC[C@H](NN1CCCCC1)C(=O)O
InChIInChI=1S/C11H23N3O2/c12-7-3-2-6-10(11(15)16)13-14-8-4-1-5-9-14/h10,13H,1-9,12H2,(H,15,16)/t10-/m0/s1
InChIKeyATYKWLNQIWSKQT-JTQLQIEISA-N
XLogP0.56
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.56
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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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid (CID 66666562) is (2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid is NCCCC[C@H](NN1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid?
The InChIKey is ATYKWLNQIWSKQT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O2/c12-7-3-2-6-10(11(15)16)13-14-8-4-1-5-9-14/h10,13H,1-9,12H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid?
(2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid has a molecular weight of 229.32 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(piperidin-1-ylamino)hexanoic acid is sourced from PubChem (CID 66666562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).