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

C14H29N3O3 — CID 173202180

IUPAC1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol
SMILESCNCC(O)OC(OC)([C@H]1CCCN1)[C@@]1(C)CCCN1
InChIInChI=1S/C14H29N3O3/c1-13(7-5-9-17-13)14(19-3,11-6-4-8-16-11)20-12(18)10-15-2/h11-12,15-18H,4-10H2,1-3H3/t11-,12?,13-,14?/m1/s1
InChIKeyYUYCKSRFYNPJTE-NELGMTEASA-N
MW287.40 g/mol
LogP-0.22
Rot. Bonds7

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

1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol (PubChem CID 173202180) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol
PubChem CID173202180
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol
SMILESCNCC(O)OC(OC)([C@H]1CCCN1)[C@@]1(C)CCCN1
InChIInChI=1S/C14H29N3O3/c1-13(7-5-9-17-13)14(19-3,11-6-4-8-16-11)20-12(18)10-15-2/h11-12,15-18H,4-10H2,1-3H3/t11-,12?,13-,14?/m1/s1
InChIKeyYUYCKSRFYNPJTE-NELGMTEASA-N
XLogP-0.22
TPSA74.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
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)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol?
The IUPAC name of 1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol (CID 173202180) is 1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol?
The canonical SMILES for 1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol is CNCC(O)OC(OC)([C@H]1CCCN1)[C@@]1(C)CCCN1.
What is the InChIKey of 1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol?
The InChIKey is YUYCKSRFYNPJTE-NELGMTEASA-N. The full InChI is InChI=1S/C14H29N3O3/c1-13(7-5-9-17-13)14(19-3,11-6-4-8-16-11)20-12(18)10-15-2/h11-12,15-18H,4-10H2,1-3H3/t11-,12?,13-,14?/m1/s1.
What are the key properties of 1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol?
1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol has a molecular weight of 287.40 g/mol, XLogP of -0.22, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy-[(2R)-2-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]-2-(methylamino)ethanol is sourced from PubChem (CID 173202180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).