(3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol

C12H17NO2 — CID 134861845

IUPAC(3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol
SMILESC[C@@H](N[C@@H]1COC[C@H]1O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(10-5-3-2-4-6-10)13-11-7-15-8-12(11)14/h2-6,9,11-14H,7-8H2,1H3/t9-,11-,12-/m1/s1
InChIKeyZJMLCJABOOPXLL-YUSALJHKSA-N
MW207.27 g/mol
LogP1.10
Rot. Bonds3

About (3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol

(3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol (PubChem CID 134861845) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol
PubChem CID134861845
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol
SMILESC[C@@H](N[C@@H]1COC[C@H]1O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(10-5-3-2-4-6-10)13-11-7-15-8-12(11)14/h2-6,9,11-14H,7-8H2,1H3/t9-,11-,12-/m1/s1
InChIKeyZJMLCJABOOPXLL-YUSALJHKSA-N
XLogP1.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R,4S)-2-((((1R)-2-hydroxy-1-phenylethyl)amino)methyl)pyrrolidine-3,4-diol
CID 11425273
(2R,3R,4S,5S)-2-(Hydroxymethyl)-5-phenylpyrrolidine-3,4-diol
CID 9837195
2-Propanol, 1-[(1-methylethyl)amino]-3-(3-phenyl
CID 12797747
(R)-2-(benzylamino)butan-1-ol
CID 927306
[(2R,3S,4S)-2-benzyl-4-hydroxypyrrolidin-3-yl] acetate
CID 6610309
(2S)-2-(benzylamino)butan-1-ol
CID 927305
3-(Benzylamino)propane-1,2-diol
CID 2793828
3-(Benzylamino)butan-1-ol
CID 10464904
2-(Benzylamino)propane-1,3-diol
CID 14967214
1-(Benzylamino)butan-2-ol
CID 13163458
(2R,3R,4S)-2-((((1S)-2-hydroxy-1-phenylethyl)amino)methyl)pyrrolidine-3,4-diol
CID 11414083
(2R,3R,4S,5R)-2-((((1R)-2-hydroxy-1-phenylethyl)amino)methyl)-5-methylpyrrolidine-3,4-diol
CID 11963508

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol (CID 134861845) is (3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol is C[C@@H](N[C@@H]1COC[C@H]1O)c1ccccc1.
What is the InChIKey of (3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol?
The InChIKey is ZJMLCJABOOPXLL-YUSALJHKSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(10-5-3-2-4-6-10)13-11-7-15-8-12(11)14/h2-6,9,11-14H,7-8H2,1H3/t9-,11-,12-/m1/s1.
What are the key properties of (3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol?
(3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol has a molecular weight of 207.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[[(1R)-1-phenylethyl]amino]oxolan-3-ol is sourced from PubChem (CID 134861845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).