(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol

C6H14N2O — CID 58007276

IUPAC(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
SMILESCN(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C6H14N2O/c1-8(2)5-3-7-4-6(5)9/h5-7,9H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyCLMZWVXBYNBYDL-PHDIDXHHSA-N
MW130.19 g/mol
LogP-1.12
Rot. Bonds1

About (3R,4R)-4-(dimethylamino)pyrrolidin-3-ol

(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol (PubChem CID 58007276) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (3R,4R)-4-(dimethylamino)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
PubChem CID58007276
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
SMILESCN(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C6H14N2O/c1-8(2)5-3-7-4-6(5)9/h5-7,9H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyCLMZWVXBYNBYDL-PHDIDXHHSA-N
XLogP-1.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(dimethylamino)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(dimethylamino)pyrrolidin-3-ol (CID 58007276) is (3R,4R)-4-(dimethylamino)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(dimethylamino)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(dimethylamino)pyrrolidin-3-ol is CN(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-(dimethylamino)pyrrolidin-3-ol?
The InChIKey is CLMZWVXBYNBYDL-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H14N2O/c1-8(2)5-3-7-4-6(5)9/h5-7,9H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-4-(dimethylamino)pyrrolidin-3-ol?
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol has a molecular weight of 130.19 g/mol, XLogP of -1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(dimethylamino)pyrrolidin-3-ol is sourced from PubChem (CID 58007276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).