1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol

C15H25N3O3 — CID 146142310

About 1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol

1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol (PubChem CID 146142310) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol.

Molecular Properties

• Compound Name: 1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol
• PubChem CID: 146142310
• Molecular Formula: C15H25N3O3
• Molecular Weight: 295.38 g/mol
• Exact Mass: 295.19
• IUPAC Name: 1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol
• SMILES: CC(O)C(O)CN1CC[C@H](Oc2cccnc2N(C)C)C1
• InChI: InChI=1S/C15H25N3O3/c1-11(19)13(20)10-18-8-6-12(9-18)21-14-5-4-7-16-15(14)17(2)3/h4-5,7,11-13,19-20H,6,8-10H2,1-3H3/t11?,12-,13?/m0/s1
• InChIKey: OXPZCBXZAMOOSZ-CPCZMJQVSA-N
• XLogP: 0.34
• TPSA: 69.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.38
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol?

The IUPAC name of 1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol (CID 146142310) is 1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol.

What is the SMILES notation for 1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol?

The canonical SMILES for 1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol is CC(O)C(O)CN1CC[C@H](Oc2cccnc2N(C)C)C1.

What is the InChIKey of 1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol?

The InChIKey is OXPZCBXZAMOOSZ-CPCZMJQVSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(19)13(20)10-18-8-6-12(9-18)21-14-5-4-7-16-15(14)17(2)3/h4-5,7,11-13,19-20H,6,8-10H2,1-3H3/t11?,12-,13?/m0/s1.

What are the key properties of 1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol?

1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol has a molecular weight of 295.38 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol is sourced from PubChem (CID 146142310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).