2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol

C7H15NO3 — CID 124681348

IUPAC2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol
SMILESNC[C@]1(OCCO)CCOC1
InChIInChI=1S/C7H15NO3/c8-5-7(11-4-2-9)1-3-10-6-7/h9H,1-6,8H2/t7-/m1/s1
InChIKeyVQICZVTXUISKQG-SSDOTTSWSA-N
MW161.20 g/mol
LogP-0.89
Rot. Bonds4

About 2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol

2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol (PubChem CID 124681348) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol
PubChem CID124681348
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol
SMILESNC[C@]1(OCCO)CCOC1
InChIInChI=1S/C7H15NO3/c8-5-7(11-4-2-9)1-3-10-6-7/h9H,1-6,8H2/t7-/m1/s1
InChIKeyVQICZVTXUISKQG-SSDOTTSWSA-N
XLogP-0.89
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol?
The IUPAC name of 2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol (CID 124681348) is 2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol.
What is the SMILES notation for 2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol?
The canonical SMILES for 2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol is NC[C@]1(OCCO)CCOC1.
What is the InChIKey of 2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol?
The InChIKey is VQICZVTXUISKQG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO3/c8-5-7(11-4-2-9)1-3-10-6-7/h9H,1-6,8H2/t7-/m1/s1.
What are the key properties of 2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol?
2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol has a molecular weight of 161.20 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol is sourced from PubChem (CID 124681348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).