(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol

C11H24N2O2 — CID 59953228

IUPAC(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol
SMILESCNC[C@@H](C)C(O)[C@@H]1CC(OC)CN1C
InChIInChI=1S/C11H24N2O2/c1-8(6-12-2)11(14)10-5-9(15-4)7-13(10)3/h8-12,14H,5-7H2,1-4H3/t8-,9?,10+,11?/m1/s1
InChIKeyCTRXHQGJAZYAPG-VKAADOFISA-N
MW216.32 g/mol
LogP-0.08
Rot. Bonds5

About (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol

(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol (PubChem CID 59953228) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol
PubChem CID59953228
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol
SMILESCNC[C@@H](C)C(O)[C@@H]1CC(OC)CN1C
InChIInChI=1S/C11H24N2O2/c1-8(6-12-2)11(14)10-5-9(15-4)7-13(10)3/h8-12,14H,5-7H2,1-4H3/t8-,9?,10+,11?/m1/s1
InChIKeyCTRXHQGJAZYAPG-VKAADOFISA-N
XLogP-0.08
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol with MolForge

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Related Compounds

(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol
CID 59953233
1-(4-methoxy-1-methylpyrrolidin-2-yl)-2-methylbutan-1-ol
CID 20647905
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol
CID 59885099
(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium
CID 159274236
1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
CID 178105166
2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine
CID 130548455
(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid
CID 166681264
(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol
CID 89090789
1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol
CID 104871868
O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine
CID 164903841
1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196326
methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778865

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol?
The IUPAC name of (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol (CID 59953228) is (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol.
What is the SMILES notation for (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol?
The canonical SMILES for (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol is CNC[C@@H](C)C(O)[C@@H]1CC(OC)CN1C.
What is the InChIKey of (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol?
The InChIKey is CTRXHQGJAZYAPG-VKAADOFISA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(6-12-2)11(14)10-5-9(15-4)7-13(10)3/h8-12,14H,5-7H2,1-4H3/t8-,9?,10+,11?/m1/s1.
What are the key properties of (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol?
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol has a molecular weight of 216.32 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol is sourced from PubChem (CID 59953228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).