(2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine

C10H21NO2 — CID 103488467

IUPAC(2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine
SMILESCCOCC(C)OC[C@@H]1CCCN1
InChIInChI=1S/C10H21NO2/c1-3-12-7-9(2)13-8-10-5-4-6-11-10/h9-11H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyGJTGHECUMLBKRT-AXDSSHIGSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds6

About (2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine

(2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine (PubChem CID 103488467) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine
PubChem CID103488467
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine
SMILESCCOCC(C)OC[C@@H]1CCCN1
InChIInChI=1S/C10H21NO2/c1-3-12-7-9(2)13-8-10-5-4-6-11-10/h9-11H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyGJTGHECUMLBKRT-AXDSSHIGSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
CID 102819966
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
2-(pentan-2-yloxymethyl)piperidine
CID 102981941
1-ethoxy-3-(piperidin-2-ylmethoxy)propan-2-ol
CID 106939406
2-(ethoxymethyl)pyrrolidine;2-(methoxymethyl)pyrrolidine
CID 145216939
2-(ethoxymethyl)azepane
CID 79569846
(2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine
CID 146554442
(2R)-2-[2-(2-methylpropoxy)ethoxymethyl]pyrrolidine
CID 106447713
(2S)-2-(1-iodobutoxymethyl)pyrrolidine
CID 121274934
1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 103489156
ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate
CID 106939450
2-(pyrrolidin-2-ylmethoxy)pentanoic acid
CID 106939418

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine (CID 103488467) is (2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine is CCOCC(C)OC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine?
The InChIKey is GJTGHECUMLBKRT-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-12-7-9(2)13-8-10-5-4-6-11-10/h9-11H,3-8H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine?
(2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 103488467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).