1-(dimethylamino)butane-2,3-diol

C6H15NO2 — CID 22068071

IUPAC1-(dimethylamino)butane-2,3-diol
SMILESCC(O)C(O)CN(C)C
InChIInChI=1S/C6H15NO2/c1-5(8)6(9)4-7(2)3/h5-6,8-9H,4H2,1-3H3
InChIKeyMWCHYSSKCAVHBB-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.71
Rot. Bonds3

About 1-(dimethylamino)butane-2,3-diol

1-(dimethylamino)butane-2,3-diol (PubChem CID 22068071) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-(dimethylamino)butane-2,3-diol.

Molecular Properties

Compound Name1-(dimethylamino)butane-2,3-diol
PubChem CID22068071
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name1-(dimethylamino)butane-2,3-diol
SMILESCC(O)C(O)CN(C)C
InChIInChI=1S/C6H15NO2/c1-5(8)6(9)4-7(2)3/h5-6,8-9H,4H2,1-3H3
InChIKeyMWCHYSSKCAVHBB-UHFFFAOYSA-N
XLogP-0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 1-(dimethylamino)butane-2,3-diol?
The IUPAC name of 1-(dimethylamino)butane-2,3-diol (CID 22068071) is 1-(dimethylamino)butane-2,3-diol.
What is the SMILES notation for 1-(dimethylamino)butane-2,3-diol?
The canonical SMILES for 1-(dimethylamino)butane-2,3-diol is CC(O)C(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)butane-2,3-diol?
The InChIKey is MWCHYSSKCAVHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-5(8)6(9)4-7(2)3/h5-6,8-9H,4H2,1-3H3.
What are the key properties of 1-(dimethylamino)butane-2,3-diol?
1-(dimethylamino)butane-2,3-diol has a molecular weight of 133.19 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)butane-2,3-diol is sourced from PubChem (CID 22068071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).