(3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol

C12H24N2O — CID 167292030

IUPAC(3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol
SMILESC[C@@H]1C[C@@H](O)CN1C1CN(C(C)(C)C)C1
InChIInChI=1S/C12H24N2O/c1-9-5-11(15)8-14(9)10-6-13(7-10)12(2,3)4/h9-11,15H,5-8H2,1-4H3/t9-,11-/m1/s1
InChIKeyMWOZQVVLTTYTAH-MWLCHTKSSA-N
MW212.34 g/mol
LogP0.92
Rot. Bonds1

About (3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol

(3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol (PubChem CID 167292030) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol
PubChem CID167292030
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol
SMILESC[C@@H]1C[C@@H](O)CN1C1CN(C(C)(C)C)C1
InChIInChI=1S/C12H24N2O/c1-9-5-11(15)8-14(9)10-6-13(7-10)12(2,3)4/h9-11,15H,5-8H2,1-4H3/t9-,11-/m1/s1
InChIKeyMWOZQVVLTTYTAH-MWLCHTKSSA-N
XLogP0.92
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine
CID 166650515
(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 138720188
(3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol
CID 6556835
1-tert-butyl-4-methylpyrrolidin-3-ol
CID 58311491
3-tert-butyl-6-sulfanyl-3,6-diazabicyclo[3.1.1]heptane
CID 167027579
(3S,5S)-1,5-dimethylpyrrolidin-3-ol
CID 59896080
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
CID 90396044
(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
CID 172518129
2-tert-butyl-5-[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 172511709
1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine
CID 115727495
2-tert-butyl-5-(1-tert-butylazetidin-3-yl)-2,5-diazabicyclo[2.2.2]octane
CID 171445129
(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol
CID 11889808

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol (CID 167292030) is (3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol is C[C@@H]1C[C@@H](O)CN1C1CN(C(C)(C)C)C1.
What is the InChIKey of (3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol?
The InChIKey is MWOZQVVLTTYTAH-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-5-11(15)8-14(9)10-6-13(7-10)12(2,3)4/h9-11,15H,5-8H2,1-4H3/t9-,11-/m1/s1.
What are the key properties of (3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol?
(3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol has a molecular weight of 212.34 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-(1-tert-butylazetidin-3-yl)-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 167292030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).