[5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol

C14H24N2O3 — CID 128981517

IUPAC[5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol
SMILESCO[C@H]1C[C@@H](CN(C)Cc2ccc(CO)o2)N(C)C1
InChIInChI=1S/C14H24N2O3/c1-15(8-12-4-5-13(10-17)19-12)7-11-6-14(18-3)9-16(11)2/h4-5,11,14,17H,6-10H2,1-3H3/t11-,14-/m0/s1
InChIKeyANJJURYLDJTLSG-FZMZJTMJSA-N
MW268.36 g/mol
LogP0.92
Rot. Bonds6

About [5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol

[5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol (PubChem CID 128981517) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is [5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol
PubChem CID128981517
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name[5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol
SMILESCO[C@H]1C[C@@H](CN(C)Cc2ccc(CO)o2)N(C)C1
InChIInChI=1S/C14H24N2O3/c1-15(8-12-4-5-13(10-17)19-12)7-11-6-14(18-3)9-16(11)2/h4-5,11,14,17H,6-10H2,1-3H3/t11-,14-/m0/s1
InChIKeyANJJURYLDJTLSG-FZMZJTMJSA-N
XLogP0.92
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol (CID 128981517) is [5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol is CO[C@H]1C[C@@H](CN(C)Cc2ccc(CO)o2)N(C)C1.
What is the InChIKey of [5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol?
The InChIKey is ANJJURYLDJTLSG-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-15(8-12-4-5-13(10-17)19-12)7-11-6-14(18-3)9-16(11)2/h4-5,11,14,17H,6-10H2,1-3H3/t11-,14-/m0/s1.
What are the key properties of [5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol?
[5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol has a molecular weight of 268.36 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 128981517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).