(2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid

C9H20N2O2 — CID 54093376

IUPAC(2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid
SMILESCNCCCC[C@@H](C(=O)O)N(C)C
InChIInChI=1S/C9H20N2O2/c1-10-7-5-4-6-8(9(12)13)11(2)3/h8,10H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyMVKULTSUHDQUIO-QMMMGPOBSA-N
MW188.27 g/mol
LogP0.39
Rot. Bonds7

About (2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid

(2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid (PubChem CID 54093376) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid
PubChem CID54093376
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid
SMILESCNCCCC[C@@H](C(=O)O)N(C)C
InChIInChI=1S/C9H20N2O2/c1-10-7-5-4-6-8(9(12)13)11(2)3/h8,10H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyMVKULTSUHDQUIO-QMMMGPOBSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.39
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)-2-(dimethylamino)-6-(methylamino)hexanoic acid?
The IUPAC name of (2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid (CID 54093376) is (2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid is CNCCCC[C@@H](C(=O)O)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid?
The InChIKey is MVKULTSUHDQUIO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-10-7-5-4-6-8(9(12)13)11(2)3/h8,10H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid?
(2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid is sourced from PubChem (CID 54093376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).