(3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol

C11H23NO2 — CID 58959504

IUPAC(3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol
SMILESCC(C)O[C@H]1CN(C(C)(C)C)C[C@H]1O
InChIInChI=1S/C11H23NO2/c1-8(2)14-10-7-12(6-9(10)13)11(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKeyNZHIDUBVKDUDHW-ZJUUUORDSA-N
MW201.31 g/mol
LogP1.25
Rot. Bonds2

About (3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol

(3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol (PubChem CID 58959504) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol
PubChem CID58959504
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol
SMILESCC(C)O[C@H]1CN(C(C)(C)C)C[C@H]1O
InChIInChI=1S/C11H23NO2/c1-8(2)14-10-7-12(6-9(10)13)11(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKeyNZHIDUBVKDUDHW-ZJUUUORDSA-N
XLogP1.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tert-butylpyrrolidin-3-ol
CID 21702735
alpha-((2-Methylpropoxy)methyl)pyrrolidine-1-ethanol
CID 6452140
1-Propan-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 15832495
(S)-3-(1,1-Dimethylethyl)oxazolidine-5-methanol
CID 121778
[(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol
CID 21120093
3-Butoxy-1-pyrrolidinylpropan-2-ol
CID 3146693
1-Methoxy-3-(2,2,4-trimethylpyrrolidin-1-yl)propan-2-ol
CID 71864967
1-Tert-butyl-3,4-dimethoxypyrrolidine
CID 12349494
1-Methoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 13914764
alpha-[(2,2-Dimethylpropoxy)methyl]-1-pyrrolidineethanol
CID 14097087
1-[3-(1,1-Dimethylethoxy)-2-hydroxypropyl]pyrrolidine
CID 14097090
4-Methoxy-1-methyl-pyrrolidin-3-ol
CID 18406065

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol?
The IUPAC name of (3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol (CID 58959504) is (3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol is CC(C)O[C@H]1CN(C(C)(C)C)C[C@H]1O.
What is the InChIKey of (3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol?
The InChIKey is NZHIDUBVKDUDHW-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)14-10-7-12(6-9(10)13)11(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol?
(3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol has a molecular weight of 201.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol is sourced from PubChem (CID 58959504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).