3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol

C10H21NO2 — CID 103539225

IUPAC3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
SMILESCOC1CCN(CC(C)(C)CO)C1
InChIInChI=1S/C10H21NO2/c1-10(2,8-12)7-11-5-4-9(6-11)13-3/h9,12H,4-8H2,1-3H3
InChIKeyPCNTVHYKRHTZKQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.73
Rot. Bonds4

About 3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol

3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol (PubChem CID 103539225) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
PubChem CID103539225
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
SMILESCOC1CCN(CC(C)(C)CO)C1
InChIInChI=1S/C10H21NO2/c1-10(2,8-12)7-11-5-4-9(6-11)13-3/h9,12H,4-8H2,1-3H3
InChIKeyPCNTVHYKRHTZKQ-UHFFFAOYSA-N
XLogP0.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 115773133
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol
CID 103540761
2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol
CID 102967560
ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
CID 103538027
methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
CID 103537978
2-(ethylamino)-4-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-ol
CID 103540741
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 103539211
1-[2-(1-tert-butylcyclopropyl)sulfonyl-2-methylpropyl]-3-methoxypyrrolidine
CID 161082280
methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
CID 103538014
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 103532099
3-(3-methoxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-ol
CID 102967569

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol (CID 103539225) is 3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol is COC1CCN(CC(C)(C)CO)C1.
What is the InChIKey of 3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is PCNTVHYKRHTZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,8-12)7-11-5-4-9(6-11)13-3/h9,12H,4-8H2,1-3H3.
What are the key properties of 3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol?
3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 103539225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).