(2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid

C9H20N2O2 — CID 22815233

IUPAC(2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid
SMILESCN(C)[C@@](C)(CCCCN)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-9(8(12)13,11(2)3)6-4-5-7-10/h4-7,10H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyYOZNFSJEWZFKCV-VIFPVBQESA-N
MW188.27 g/mol
LogP0.52
Rot. Bonds6

About (2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid

(2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid (PubChem CID 22815233) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid
PubChem CID22815233
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid
SMILESCN(C)[C@@](C)(CCCCN)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-9(8(12)13,11(2)3)6-4-5-7-10/h4-7,10H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyYOZNFSJEWZFKCV-VIFPVBQESA-N
XLogP0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.52
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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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid?
The IUPAC name of (2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid (CID 22815233) is (2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid is CN(C)[C@@](C)(CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid?
The InChIKey is YOZNFSJEWZFKCV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(8(12)13,11(2)3)6-4-5-7-10/h4-7,10H2,1-3H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid?
(2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(dimethylamino)-2-methylhexanoic acid is sourced from PubChem (CID 22815233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).