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

C12H17NO2 — CID 59896143

IUPAC(3R,4S)-4-[[(1S)-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-/m0/s1
InChIKeyZJMLCJABOOPXLL-DLOVCJGASA-N
MW207.27 g/mol
LogP1.10
Rot. Bonds3

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

(3R,4S)-4-[[(1S)-1-phenylethyl]amino]oxolan-3-ol (PubChem CID 59896143) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3R,4S)-4-[[(1S)-1-phenylethyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[[(1S)-1-phenylethyl]amino]oxolan-3-ol
PubChem CID59896143
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3R,4S)-4-[[(1S)-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-/m0/s1
InChIKeyZJMLCJABOOPXLL-DLOVCJGASA-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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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[[(1S)-1-phenylethyl]amino]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[[(1S)-1-phenylethyl]amino]oxolan-3-ol (CID 59896143) is (3R,4S)-4-[[(1S)-1-phenylethyl]amino]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[[(1S)-1-phenylethyl]amino]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[[(1S)-1-phenylethyl]amino]oxolan-3-ol is C[C@H](N[C@H]1COC[C@@H]1O)c1ccccc1.
What is the InChIKey of (3R,4S)-4-[[(1S)-1-phenylethyl]amino]oxolan-3-ol?
The InChIKey is ZJMLCJABOOPXLL-DLOVCJGASA-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-/m0/s1.
What are the key properties of (3R,4S)-4-[[(1S)-1-phenylethyl]amino]oxolan-3-ol?
(3R,4S)-4-[[(1S)-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 (3R,4S)-4-[[(1S)-1-phenylethyl]amino]oxolan-3-ol is sourced from PubChem (CID 59896143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).