(3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol

C10H22N2O — CID 122236823

IUPAC(3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol
SMILESCC(C)C(C)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H22N2O/c1-7(2)8(3)12(4)9-5-11-6-10(9)13/h7-11,13H,5-6H2,1-4H3/t8?,9-,10-/m1/s1
InChIKeyZJTDDIAGOXCLGZ-VXRWAFEHSA-N
MW186.30 g/mol
LogP0.30
Rot. Bonds3

About (3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol

(3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol (PubChem CID 122236823) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol
PubChem CID122236823
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol
SMILESCC(C)C(C)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H22N2O/c1-7(2)8(3)12(4)9-5-11-6-10(9)13/h7-11,13H,5-6H2,1-4H3/t8?,9-,10-/m1/s1
InChIKeyZJTDDIAGOXCLGZ-VXRWAFEHSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol (CID 122236823) is (3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol is CC(C)C(C)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol?
The InChIKey is ZJTDDIAGOXCLGZ-VXRWAFEHSA-N. The full InChI is InChI=1S/C10H22N2O/c1-7(2)8(3)12(4)9-5-11-6-10(9)13/h7-11,13H,5-6H2,1-4H3/t8?,9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol?
(3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol has a molecular weight of 186.30 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 122236823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).