(2R)-3-(dimethylamino)propane-1,2-diol

C5H13NO2 — CID 6951533

IUPAC(2R)-3-(dimethylamino)propane-1,2-diol
SMILESCN(C)C[C@@H](O)CO
InChIInChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyQCMHUGYTOGXZIW-RXMQYKEDSA-N
MW119.16 g/mol
LogP-1.10
Rot. Bonds3

About (2R)-3-(dimethylamino)propane-1,2-diol

(2R)-3-(dimethylamino)propane-1,2-diol (PubChem CID 6951533) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (2R)-3-(dimethylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(dimethylamino)propane-1,2-diol
PubChem CID6951533
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(2R)-3-(dimethylamino)propane-1,2-diol
SMILESCN(C)C[C@@H](O)CO
InChIInChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyQCMHUGYTOGXZIW-RXMQYKEDSA-N
XLogP-1.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(dimethylamino)propane-1,2-diol?
The IUPAC name of (2R)-3-(dimethylamino)propane-1,2-diol (CID 6951533) is (2R)-3-(dimethylamino)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(dimethylamino)propane-1,2-diol?
The canonical SMILES for (2R)-3-(dimethylamino)propane-1,2-diol is CN(C)C[C@@H](O)CO.
What is the InChIKey of (2R)-3-(dimethylamino)propane-1,2-diol?
The InChIKey is QCMHUGYTOGXZIW-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-3-(dimethylamino)propane-1,2-diol?
(2R)-3-(dimethylamino)propane-1,2-diol has a molecular weight of 119.16 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(dimethylamino)propane-1,2-diol is sourced from PubChem (CID 6951533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).