(3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol

C10H20N2O2 — CID 122236959

IUPAC(3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol
SMILESCN(CC1CCOC1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H20N2O2/c1-12(6-8-2-3-14-7-8)9-4-11-5-10(9)13/h8-11,13H,2-7H2,1H3/t8?,9-,10-/m1/s1
InChIKeyQNALMLQHNHYKQP-VXRWAFEHSA-N
MW200.28 g/mol
LogP-0.71
Rot. Bonds3

About (3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol

(3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol (PubChem CID 122236959) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol
PubChem CID122236959
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol
SMILESCN(CC1CCOC1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H20N2O2/c1-12(6-8-2-3-14-7-8)9-4-11-5-10(9)13/h8-11,13H,2-7H2,1H3/t8?,9-,10-/m1/s1
InChIKeyQNALMLQHNHYKQP-VXRWAFEHSA-N
XLogP-0.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66238015
2-(4-fluorophenyl)-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 95973496
2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 95973495
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
N-methyl-N-(oxolan-3-ylmethyl)-1-piperidin-3-ylmethanamine;hydrochloride
CID 119932323
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
N-methyl-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119814558
2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63713346
4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol
CID 120962917
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
N,5-dimethyl-N-(oxan-4-ylmethyl)piperidin-3-amine
CID 115373511
4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
CID 63712306

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol (CID 122236959) is (3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol is CN(CC1CCOC1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol?
The InChIKey is QNALMLQHNHYKQP-VXRWAFEHSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-12(6-8-2-3-14-7-8)9-4-11-5-10(9)13/h8-11,13H,2-7H2,1H3/t8?,9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol?
(3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol has a molecular weight of 200.28 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 122236959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).