(3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol

C9H17NO2 — CID 130703467

IUPAC(3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol
SMILESCCC1CN([C@@H]2COC[C@H]2O)C1
InChIInChI=1S/C9H17NO2/c1-2-7-3-10(4-7)8-5-12-6-9(8)11/h7-9,11H,2-6H2,1H3/t8-,9-/m1/s1
InChIKeyNQNGRKJIZLNNMQ-RKDXNWHRSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds2

About (3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol

(3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol (PubChem CID 130703467) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol
PubChem CID130703467
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol
SMILESCCC1CN([C@@H]2COC[C@H]2O)C1
InChIInChI=1S/C9H17NO2/c1-2-7-3-10(4-7)8-5-12-6-9(8)11/h7-9,11H,2-6H2,1H3/t8-,9-/m1/s1
InChIKeyNQNGRKJIZLNNMQ-RKDXNWHRSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol (CID 130703467) is (3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol is CCC1CN([C@@H]2COC[C@H]2O)C1.
What is the InChIKey of (3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol?
The InChIKey is NQNGRKJIZLNNMQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-7-3-10(4-7)8-5-12-6-9(8)11/h7-9,11H,2-6H2,1H3/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol?
(3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol has a molecular weight of 171.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol is sourced from PubChem (CID 130703467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).