(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol

C11H23NO — CID 158126108

IUPAC(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)C[C@@H]1CN(C(C)C)C[C@H]1O
InChIInChI=1S/C11H23NO/c1-8(2)5-10-6-12(9(3)4)7-11(10)13/h8-11,13H,5-7H2,1-4H3/t10-,11-/m1/s1
InChIKeyZAFKLTCBGFQBBV-GHMZBOCLSA-N
MW185.31 g/mol
LogP1.73
Rot. Bonds3

About (3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol

(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol (PubChem CID 158126108) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol
PubChem CID158126108
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)C[C@@H]1CN(C(C)C)C[C@H]1O
InChIInChI=1S/C11H23NO/c1-8(2)5-10-6-12(9(3)4)7-11(10)13/h8-11,13H,5-7H2,1-4H3/t10-,11-/m1/s1
InChIKeyZAFKLTCBGFQBBV-GHMZBOCLSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol (CID 158126108) is (3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol is CC(C)C[C@@H]1CN(C(C)C)C[C@H]1O.
What is the InChIKey of (3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is ZAFKLTCBGFQBBV-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)5-10-6-12(9(3)4)7-11(10)13/h8-11,13H,5-7H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol?
(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 185.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 158126108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).