(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol

C9H19NO2 — CID 146397764

IUPAC(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol
SMILESCCOC[C@@H](O)CC1CCNC1
InChIInChI=1S/C9H19NO2/c1-2-12-7-9(11)5-8-3-4-10-6-8/h8-11H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyIVOGGPQRHIEGIH-GKAPJAKFSA-N
MW173.26 g/mol
LogP0.38
Rot. Bonds5

About (2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol

(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol (PubChem CID 146397764) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol
PubChem CID146397764
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol
SMILESCCOC[C@@H](O)CC1CCNC1
InChIInChI=1S/C9H19NO2/c1-2-12-7-9(11)5-8-3-4-10-6-8/h8-11H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyIVOGGPQRHIEGIH-GKAPJAKFSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol
CID 146334931
1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol
CID 146554150
3-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
CID 114451573
3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol
CID 106938106
1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol
CID 104680602
1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 167259963
3-ethoxy-3-oxo-2-(pyrrolidin-3-ylmethyl)propanoic acid
CID 70398135
1-(piperidin-3-ylmethoxy)butan-2-ol
CID 106939364
1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol
CID 105111757
3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride
CID 56829885
1-ethoxy-3-[ethyl(piperidin-4-yl)amino]propan-2-ol
CID 63932998
1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
CID 106939109

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol?
The IUPAC name of (2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol (CID 146397764) is (2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol?
The canonical SMILES for (2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol is CCOC[C@@H](O)CC1CCNC1.
What is the InChIKey of (2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol?
The InChIKey is IVOGGPQRHIEGIH-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-12-7-9(11)5-8-3-4-10-6-8/h8-11H,2-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of (2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol?
(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol is sourced from PubChem (CID 146397764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).