(5S)-1,5-ditert-butylpyrrolidin-3-ol

C12H25NO — CID 59067592

IUPAC(5S)-1,5-ditert-butylpyrrolidin-3-ol
SMILESCC(C)(C)[C@@H]1CC(O)CN1C(C)(C)C
InChIInChI=1S/C12H25NO/c1-11(2,3)10-7-9(14)8-13(10)12(4,5)6/h9-10,14H,7-8H2,1-6H3/t9?,10-/m0/s1
InChIKeyPSZBQTUHZSICDC-AXDSSHIGSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds

About (5S)-1,5-ditert-butylpyrrolidin-3-ol

(5S)-1,5-ditert-butylpyrrolidin-3-ol (PubChem CID 59067592) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (5S)-1,5-ditert-butylpyrrolidin-3-ol.

Molecular Properties

Compound Name(5S)-1,5-ditert-butylpyrrolidin-3-ol
PubChem CID59067592
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(5S)-1,5-ditert-butylpyrrolidin-3-ol
SMILESCC(C)(C)[C@@H]1CC(O)CN1C(C)(C)C
InChIInChI=1S/C12H25NO/c1-11(2,3)10-7-9(14)8-13(10)12(4,5)6/h9-10,14H,7-8H2,1-6H3/t9?,10-/m0/s1
InChIKeyPSZBQTUHZSICDC-AXDSSHIGSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1,5-ditert-butylpyrrolidin-3-ol?
The IUPAC name of (5S)-1,5-ditert-butylpyrrolidin-3-ol (CID 59067592) is (5S)-1,5-ditert-butylpyrrolidin-3-ol.
What is the SMILES notation for (5S)-1,5-ditert-butylpyrrolidin-3-ol?
The canonical SMILES for (5S)-1,5-ditert-butylpyrrolidin-3-ol is CC(C)(C)[C@@H]1CC(O)CN1C(C)(C)C.
What is the InChIKey of (5S)-1,5-ditert-butylpyrrolidin-3-ol?
The InChIKey is PSZBQTUHZSICDC-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2,3)10-7-9(14)8-13(10)12(4,5)6/h9-10,14H,7-8H2,1-6H3/t9?,10-/m0/s1.
What are the key properties of (5S)-1,5-ditert-butylpyrrolidin-3-ol?
(5S)-1,5-ditert-butylpyrrolidin-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,5-ditert-butylpyrrolidin-3-ol is sourced from PubChem (CID 59067592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).