[5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol

C10H17NO3 — CID 96569409

IUPAC[5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol
SMILESCOC[C@H](C)NCc1ccc(CO)o1
InChIInChI=1S/C10H17NO3/c1-8(7-13-2)11-5-9-3-4-10(6-12)14-9/h3-4,8,11-12H,5-7H2,1-2H3/t8-/m0/s1
InChIKeyLCKBTTQDRCBUPP-QMMMGPOBSA-N
MW199.25 g/mol
LogP0.90
Rot. Bonds6

About [5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol

[5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol (PubChem CID 96569409) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol
PubChem CID96569409
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol
SMILESCOC[C@H](C)NCc1ccc(CO)o1
InChIInChI=1S/C10H17NO3/c1-8(7-13-2)11-5-9-3-4-10(6-12)14-9/h3-4,8,11-12H,5-7H2,1-2H3/t8-/m0/s1
InChIKeyLCKBTTQDRCBUPP-QMMMGPOBSA-N
XLogP0.90
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol (CID 96569409) is [5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol is COC[C@H](C)NCc1ccc(CO)o1.
What is the InChIKey of [5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol?
The InChIKey is LCKBTTQDRCBUPP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(7-13-2)11-5-9-3-4-10(6-12)14-9/h3-4,8,11-12H,5-7H2,1-2H3/t8-/m0/s1.
What are the key properties of [5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol?
[5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol has a molecular weight of 199.25 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 96569409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).