(2S)-2-amino-6-piperidin-4-ylhexanoic acid

C11H22N2O2 — CID 54155905

IUPAC(2S)-2-amino-6-piperidin-4-ylhexanoic acid
SMILESN[C@@H](CCCCC1CCNCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c12-10(11(14)15)4-2-1-3-9-5-7-13-8-6-9/h9-10,13H,1-8,12H2,(H,14,15)/t10-/m0/s1
InChIKeyNZVDJFOHJAAHKE-JTQLQIEISA-N
MW214.31 g/mol
LogP0.96
Rot. Bonds6

About (2S)-2-amino-6-piperidin-4-ylhexanoic acid

(2S)-2-amino-6-piperidin-4-ylhexanoic acid (PubChem CID 54155905) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-6-piperidin-4-ylhexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-piperidin-4-ylhexanoic acid
PubChem CID54155905
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-6-piperidin-4-ylhexanoic acid
SMILESN[C@@H](CCCCC1CCNCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c12-10(11(14)15)4-2-1-3-9-5-7-13-8-6-9/h9-10,13H,1-8,12H2,(H,14,15)/t10-/m0/s1
InChIKeyNZVDJFOHJAAHKE-JTQLQIEISA-N
XLogP0.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-diaminohexanoic acid;piperazine
CID 158265078
2-amino-3-[3-(azocan-4-yl)propoxy]propanoic acid
CID 166795969
2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane
CID 177180760
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid
CID 67328584
(2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid
CID 67154306
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
6-piperidin-4-ylhexanoic acid;hydrochloride
CID 175496975
2,10,10-triaminodecanoic acid
CID 141091504
2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride
CID 162322945
2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid
CID 90742883

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-piperidin-4-ylhexanoic acid?
The IUPAC name of (2S)-2-amino-6-piperidin-4-ylhexanoic acid (CID 54155905) is (2S)-2-amino-6-piperidin-4-ylhexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-piperidin-4-ylhexanoic acid?
The canonical SMILES for (2S)-2-amino-6-piperidin-4-ylhexanoic acid is N[C@@H](CCCCC1CCNCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-piperidin-4-ylhexanoic acid?
The InChIKey is NZVDJFOHJAAHKE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c12-10(11(14)15)4-2-1-3-9-5-7-13-8-6-9/h9-10,13H,1-8,12H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-6-piperidin-4-ylhexanoic acid?
(2S)-2-amino-6-piperidin-4-ylhexanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-piperidin-4-ylhexanoic acid is sourced from PubChem (CID 54155905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).