(2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol

C9H19NO — CID 166696933

IUPAC(2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol
SMILESCN1CC[C@@H](O)[C@H]1C(C)(C)C
InChIInChI=1S/C9H19NO/c1-9(2,3)8-7(11)5-6-10(8)4/h7-8,11H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyDRTLQDKXBRDIJI-SFYZADRCSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds

About (2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol

(2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol (PubChem CID 166696933) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol
PubChem CID166696933
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol
SMILESCN1CC[C@@H](O)[C@H]1C(C)(C)C
InChIInChI=1S/C9H19NO/c1-9(2,3)8-7(11)5-6-10(8)4/h7-8,11H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyDRTLQDKXBRDIJI-SFYZADRCSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol?
The IUPAC name of (2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol (CID 166696933) is (2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol?
The canonical SMILES for (2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol is CN1CC[C@@H](O)[C@H]1C(C)(C)C.
What is the InChIKey of (2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol?
The InChIKey is DRTLQDKXBRDIJI-SFYZADRCSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)8-7(11)5-6-10(8)4/h7-8,11H,5-6H2,1-4H3/t7-,8+/m1/s1.
What are the key properties of (2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol?
(2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-tert-butyl-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 166696933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).