(2S)-4-(dimethylamino)butane-1,2-diol

C6H15NO2 — CID 12621261

IUPAC(2S)-4-(dimethylamino)butane-1,2-diol
SMILESCN(C)CC[C@H](O)CO
InChIInChI=1S/C6H15NO2/c1-7(2)4-3-6(9)5-8/h6,8-9H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyZAJHMOZTXOGSJO-LURJTMIESA-N
MW133.19 g/mol
LogP-0.71
Rot. Bonds4

About (2S)-4-(dimethylamino)butane-1,2-diol

(2S)-4-(dimethylamino)butane-1,2-diol (PubChem CID 12621261) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is (2S)-4-(dimethylamino)butane-1,2-diol.

Molecular Properties

Compound Name(2S)-4-(dimethylamino)butane-1,2-diol
PubChem CID12621261
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name(2S)-4-(dimethylamino)butane-1,2-diol
SMILESCN(C)CC[C@H](O)CO
InChIInChI=1S/C6H15NO2/c1-7(2)4-3-6(9)5-8/h6,8-9H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyZAJHMOZTXOGSJO-LURJTMIESA-N
XLogP-0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(dimethylamino)butane-1,2-diol?
The IUPAC name of (2S)-4-(dimethylamino)butane-1,2-diol (CID 12621261) is (2S)-4-(dimethylamino)butane-1,2-diol.
What is the SMILES notation for (2S)-4-(dimethylamino)butane-1,2-diol?
The canonical SMILES for (2S)-4-(dimethylamino)butane-1,2-diol is CN(C)CC[C@H](O)CO.
What is the InChIKey of (2S)-4-(dimethylamino)butane-1,2-diol?
The InChIKey is ZAJHMOZTXOGSJO-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NO2/c1-7(2)4-3-6(9)5-8/h6,8-9H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-4-(dimethylamino)butane-1,2-diol?
(2S)-4-(dimethylamino)butane-1,2-diol has a molecular weight of 133.19 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(dimethylamino)butane-1,2-diol is sourced from PubChem (CID 12621261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).