1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol

C14H29N3O3 — CID 173221439

IUPAC1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol
SMILESCNCC(O)OC(OC)([C@H]1CCCN1)[C@H]1CCCN1C
InChIInChI=1S/C14H29N3O3/c1-15-10-13(18)20-14(19-3,11-6-4-8-16-11)12-7-5-9-17(12)2/h11-13,15-16,18H,4-10H2,1-3H3/t11-,12-,13?,14?/m1/s1
InChIKeyCFVJKRFXPRYKGH-IWMBGFJWSA-N
MW287.40 g/mol
LogP-0.27
Rot. Bonds7

About 1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol

1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol (PubChem CID 173221439) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol
PubChem CID173221439
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol
SMILESCNCC(O)OC(OC)([C@H]1CCCN1)[C@H]1CCCN1C
InChIInChI=1S/C14H29N3O3/c1-15-10-13(18)20-14(19-3,11-6-4-8-16-11)12-7-5-9-17(12)2/h11-13,15-16,18H,4-10H2,1-3H3/t11-,12-,13?,14?/m1/s1
InChIKeyCFVJKRFXPRYKGH-IWMBGFJWSA-N
XLogP-0.27
TPSA65.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol?
The IUPAC name of 1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol (CID 173221439) is 1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol?
The canonical SMILES for 1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol is CNCC(O)OC(OC)([C@H]1CCCN1)[C@H]1CCCN1C.
What is the InChIKey of 1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol?
The InChIKey is CFVJKRFXPRYKGH-IWMBGFJWSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-15-10-13(18)20-14(19-3,11-6-4-8-16-11)12-7-5-9-17(12)2/h11-13,15-16,18H,4-10H2,1-3H3/t11-,12-,13?,14?/m1/s1.
What are the key properties of 1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol?
1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol has a molecular weight of 287.40 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol is sourced from PubChem (CID 173221439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).