(2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one

C13H25NO2 — CID 118444443

IUPAC(2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
SMILESCC(C)[C@@H](O)C(=O)N1CC[C@](C)(C(C)C)C1
InChIInChI=1S/C13H25NO2/c1-9(2)11(15)12(16)14-7-6-13(5,8-14)10(3)4/h9-11,15H,6-8H2,1-5H3/t11-,13+/m1/s1
InChIKeySXGJDWAQHPHEEU-YPMHNXCESA-N
MW227.35 g/mol
LogP1.90
Rot. Bonds3

About (2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one

(2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one (PubChem CID 118444443) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
PubChem CID118444443
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
SMILESCC(C)[C@@H](O)C(=O)N1CC[C@](C)(C(C)C)C1
InChIInChI=1S/C13H25NO2/c1-9(2)11(15)12(16)14-7-6-13(5,8-14)10(3)4/h9-11,15H,6-8H2,1-5H3/t11-,13+/m1/s1
InChIKeySXGJDWAQHPHEEU-YPMHNXCESA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one (CID 118444443) is (2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one is CC(C)[C@@H](O)C(=O)N1CC[C@](C)(C(C)C)C1.
What is the InChIKey of (2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one?
The InChIKey is SXGJDWAQHPHEEU-YPMHNXCESA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(2)11(15)12(16)14-7-6-13(5,8-14)10(3)4/h9-11,15H,6-8H2,1-5H3/t11-,13+/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one?
(2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one has a molecular weight of 227.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 118444443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).