(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol

C12H25NO3 — CID 124856114

IUPAC(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCCOC[C@H](O)CN1CCC[C@H]1C(C)(C)O
InChIInChI=1S/C12H25NO3/c1-4-16-9-10(14)8-13-7-5-6-11(13)12(2,3)15/h10-11,14-15H,4-9H2,1-3H3/t10-,11+/m1/s1
InChIKeyFLHLPZICWGRQSA-MNOVXSKESA-N
MW231.34 g/mol
LogP0.62
Rot. Bonds6

About (2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol

(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 124856114) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
PubChem CID124856114
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCCOC[C@H](O)CN1CCC[C@H]1C(C)(C)O
InChIInChI=1S/C12H25NO3/c1-4-16-9-10(14)8-13-7-5-6-11(13)12(2,3)15/h10-11,14-15H,4-9H2,1-3H3/t10-,11+/m1/s1
InChIKeyFLHLPZICWGRQSA-MNOVXSKESA-N
XLogP0.62
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-ethoxy-3-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 97329734
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 63931720
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
CID 63933195
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339580
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol
CID 63932604
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79544470
methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
CID 63932803
(2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95626124
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587

Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol (CID 124856114) is (2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol is CCOC[C@H](O)CN1CCC[C@H]1C(C)(C)O.
What is the InChIKey of (2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is FLHLPZICWGRQSA-MNOVXSKESA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-16-9-10(14)8-13-7-5-6-11(13)12(2,3)15/h10-11,14-15H,4-9H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol?
(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 124856114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).