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

C11H23NO2 — CID 59334347

IUPAC(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
SMILESCC(C)(C)OCCCN1CC[C@@H](O)C1
InChIInChI=1S/C11H23NO2/c1-11(2,3)14-8-4-6-12-7-5-10(13)9-12/h10,13H,4-9H2,1-3H3/t10-/m1/s1
InChIKeySDMARBPZABGIJM-SNVBAGLBSA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds4

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

(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol (PubChem CID 59334347) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
PubChem CID59334347
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
SMILESCC(C)(C)OCCCN1CC[C@@H](O)C1
InChIInChI=1S/C11H23NO2/c1-11(2,3)14-8-4-6-12-7-5-10(13)9-12/h10,13H,4-9H2,1-3H3/t10-/m1/s1
InChIKeySDMARBPZABGIJM-SNVBAGLBSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-ol
CID 103412041
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590
(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
CID 103182790
1-(3,3-dimethylbutyl)pyrrolidin-3-ol
CID 18768948
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646
(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol
CID 142756274
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-[3-(2-methylpropoxy)propoxy]pyrrolidine
CID 140899224
1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 171447106
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 112591814
(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 103939668
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol (CID 59334347) is (3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol is CC(C)(C)OCCCN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol?
The InChIKey is SDMARBPZABGIJM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,3)14-8-4-6-12-7-5-10(13)9-12/h10,13H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol?
(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol is sourced from PubChem (CID 59334347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).