(3S,4R)-1-tert-butylpyrrolidine-3,4-diol

C8H17NO2 — CID 58959474

IUPAC(3S,4R)-1-tert-butylpyrrolidine-3,4-diol
SMILESCC(C)(C)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H17NO2/c1-8(2,3)9-4-6(10)7(11)5-9/h6-7,10-11H,4-5H2,1-3H3/t6-,7+
InChIKeyOUENLUVFKQHXBX-KNVOCYPGSA-N
MW159.23 g/mol
LogP-0.18
Rot. Bonds

About (3S,4R)-1-tert-butylpyrrolidine-3,4-diol

(3S,4R)-1-tert-butylpyrrolidine-3,4-diol (PubChem CID 58959474) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3S,4R)-1-tert-butylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-tert-butylpyrrolidine-3,4-diol
PubChem CID58959474
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3S,4R)-1-tert-butylpyrrolidine-3,4-diol
SMILESCC(C)(C)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H17NO2/c1-8(2,3)9-4-6(10)7(11)5-9/h6-7,10-11H,4-5H2,1-3H3/t6-,7+
InChIKeyOUENLUVFKQHXBX-KNVOCYPGSA-N
XLogP-0.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-tert-butylpyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-tert-butylpyrrolidine-3,4-diol (CID 58959474) is (3S,4R)-1-tert-butylpyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-tert-butylpyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-tert-butylpyrrolidine-3,4-diol is CC(C)(C)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-1-tert-butylpyrrolidine-3,4-diol?
The InChIKey is OUENLUVFKQHXBX-KNVOCYPGSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)9-4-6(10)7(11)5-9/h6-7,10-11H,4-5H2,1-3H3/t6-,7+.
What are the key properties of (3S,4R)-1-tert-butylpyrrolidine-3,4-diol?
(3S,4R)-1-tert-butylpyrrolidine-3,4-diol has a molecular weight of 159.23 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-tert-butylpyrrolidine-3,4-diol is sourced from PubChem (CID 58959474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).