(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol

C11H23NO2 — CID 146334931

IUPAC(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol
SMILESCC(C)(C)OC[C@H](O)CC1CCNC1
InChIInChI=1S/C11H23NO2/c1-11(2,3)14-8-10(13)6-9-4-5-12-7-9/h9-10,12-13H,4-8H2,1-3H3/t9?,10-/m1/s1
InChIKeyDVWQMPJLNMMBAH-QVDQXJPCSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds4

About (2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol (PubChem CID 146334931) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol
PubChem CID146334931
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol
SMILESCC(C)(C)OC[C@H](O)CC1CCNC1
InChIInChI=1S/C11H23NO2/c1-11(2,3)14-8-10(13)6-9-4-5-12-7-9/h9-10,12-13H,4-8H2,1-3H3/t9?,10-/m1/s1
InChIKeyDVWQMPJLNMMBAH-QVDQXJPCSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol
CID 146554150
(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol
CID 146397764
1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105100757
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 94408814
1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol
CID 104680602
1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol
CID 158732235
4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate
CID 144530470
N,N-diethyl-1-pyrrolidin-3-ylpropan-2-amine
CID 105441385
3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol
CID 106938106
1-methoxy-3-[6-[(3S,4Z,6S)-6-methyl-6-(trifluoromethyl)octa-1,4-dien-3-yl]azocan-3-yl]propan-2-ol
CID 174009665
1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54880949
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114451772

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol?
The IUPAC name of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol (CID 146334931) is (2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol is CC(C)(C)OC[C@H](O)CC1CCNC1.
What is the InChIKey of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol?
The InChIKey is DVWQMPJLNMMBAH-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,3)14-8-10(13)6-9-4-5-12-7-9/h9-10,12-13H,4-8H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol?
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol is sourced from PubChem (CID 146334931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).