[5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol

C11H17NO3 — CID 131528338

IUPAC[5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol
SMILESN[C@@H](c1ccc(CO)o1)C1CCOCC1
InChIInChI=1S/C11H17NO3/c12-11(8-3-5-14-6-4-8)10-2-1-9(7-13)15-10/h1-2,8,11,13H,3-7,12H2/t11-/m1/s1
InChIKeyBZHDMRAELFKBJZ-LLVKDONJSA-N
MW211.26 g/mol
LogP1.20
Rot. Bonds3

About [5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol

[5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol (PubChem CID 131528338) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol
PubChem CID131528338
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol
SMILESN[C@@H](c1ccc(CO)o1)C1CCOCC1
InChIInChI=1S/C11H17NO3/c12-11(8-3-5-14-6-4-8)10-2-1-9(7-13)15-10/h1-2,8,11,13H,3-7,12H2/t11-/m1/s1
InChIKeyBZHDMRAELFKBJZ-LLVKDONJSA-N
XLogP1.20
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol (CID 131528338) is [5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol is N[C@@H](c1ccc(CO)o1)C1CCOCC1.
What is the InChIKey of [5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol?
The InChIKey is BZHDMRAELFKBJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO3/c12-11(8-3-5-14-6-4-8)10-2-1-9(7-13)15-10/h1-2,8,11,13H,3-7,12H2/t11-/m1/s1.
What are the key properties of [5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol?
[5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol has a molecular weight of 211.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol is sourced from PubChem (CID 131528338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).