(3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol

C9H19NO2 — CID 59596527

IUPAC(3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESCC(C)(C)N1C[C@H](O)C[C@@H]1CO
InChIInChI=1S/C9H19NO2/c1-9(2,3)10-5-8(12)4-7(10)6-11/h7-8,11-12H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyWRFDHTGKHAIBKT-HTQZYQBOSA-N
MW173.26 g/mol
LogP0.21
Rot. Bonds1

About (3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol

(3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 59596527) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID59596527
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESCC(C)(C)N1C[C@H](O)C[C@@H]1CO
InChIInChI=1S/C9H19NO2/c1-9(2,3)10-5-8(12)4-7(10)6-11/h7-8,11-12H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyWRFDHTGKHAIBKT-HTQZYQBOSA-N
XLogP0.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol (CID 59596527) is (3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol is CC(C)(C)N1C[C@H](O)C[C@@H]1CO.
What is the InChIKey of (3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is WRFDHTGKHAIBKT-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2,3)10-5-8(12)4-7(10)6-11/h7-8,11-12H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol?
(3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 173.26 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 59596527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).