(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol

C10H15NO3 — CID 94466425

IUPAC(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol
SMILESCc1ccc(CN[C@@H]2COC[C@H]2O)o1
InChIInChI=1S/C10H15NO3/c1-7-2-3-8(14-7)4-11-9-5-13-6-10(9)12/h2-3,9-12H,4-6H2,1H3/t9-,10-/m1/s1
InChIKeyGTZHOVOXRVUTKJ-NXEZZACHSA-N
MW197.23 g/mol
LogP0.44
Rot. Bonds3

About (3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol

(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol (PubChem CID 94466425) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol
PubChem CID94466425
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol
SMILESCc1ccc(CN[C@@H]2COC[C@H]2O)o1
InChIInChI=1S/C10H15NO3/c1-7-2-3-8(14-7)4-11-9-5-13-6-10(9)12/h2-3,9-12H,4-6H2,1H3/t9-,10-/m1/s1
InChIKeyGTZHOVOXRVUTKJ-NXEZZACHSA-N
XLogP0.44
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methanol
CID 115655051
N-[(5-methylfuran-2-yl)methyl]oxan-3-amine
CID 63360041
2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide
CID 115977131
4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919708
3-ethyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64921560
cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate
CID 129432511
(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463266
4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919725
N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378721
2-[[(4-hydroxyoxolan-3-yl)amino]methyl]-6-methylpyridin-3-ol
CID 115919696
(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol
CID 93384643
(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
CID 93384215

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol (CID 94466425) is (3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol is Cc1ccc(CN[C@@H]2COC[C@H]2O)o1.
What is the InChIKey of (3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol?
The InChIKey is GTZHOVOXRVUTKJ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-2-3-8(14-7)4-11-9-5-13-6-10(9)12/h2-3,9-12H,4-6H2,1H3/t9-,10-/m1/s1.
What are the key properties of (3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol?
(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol has a molecular weight of 197.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol is sourced from PubChem (CID 94466425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).