(3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol

C10H20N2O2 — CID 130751540

IUPAC(3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol
SMILESCC1CC(N[C@@H]2COC[C@H]2O)CN1C
InChIInChI=1S/C10H20N2O2/c1-7-3-8(4-12(7)2)11-9-5-14-6-10(9)13/h7-11,13H,3-6H2,1-2H3/t7?,8?,9-,10-/m1/s1
InChIKeyMVBWJTMFUWIQMG-YDYPAMBWSA-N
MW200.28 g/mol
LogP-0.57
Rot. Bonds2

About (3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol

(3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol (PubChem CID 130751540) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol
PubChem CID130751540
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol
SMILESCC1CC(N[C@@H]2COC[C@H]2O)CN1C
InChIInChI=1S/C10H20N2O2/c1-7-3-8(4-12(7)2)11-9-5-14-6-10(9)13/h7-11,13H,3-6H2,1-2H3/t7?,8?,9-,10-/m1/s1
InChIKeyMVBWJTMFUWIQMG-YDYPAMBWSA-N
XLogP-0.57
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol (CID 130751540) is (3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol is CC1CC(N[C@@H]2COC[C@H]2O)CN1C.
What is the InChIKey of (3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol?
The InChIKey is MVBWJTMFUWIQMG-YDYPAMBWSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-3-8(4-12(7)2)11-9-5-14-6-10(9)13/h7-11,13H,3-6H2,1-2H3/t7?,8?,9-,10-/m1/s1.
What are the key properties of (3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol?
(3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol has a molecular weight of 200.28 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol is sourced from PubChem (CID 130751540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).