(2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

C14H27NO2 — CID 177009745

IUPAC(2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCCN1CC[C@H](OC2CC2)[C@H]1[C@H](C)OC(C)C
InChIInChI=1S/C14H27NO2/c1-5-15-9-8-13(17-12-6-7-12)14(15)11(4)16-10(2)3/h10-14H,5-9H2,1-4H3/t11-,13-,14+/m0/s1
InChIKeyHYVNYZQENYNZFW-FPMFFAJLSA-N
MW241.37 g/mol
LogP2.44
Rot. Bonds6

About (2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

(2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (PubChem CID 177009745) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.

Molecular Properties

Compound Name(2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
PubChem CID177009745
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCCN1CC[C@H](OC2CC2)[C@H]1[C@H](C)OC(C)C
InChIInChI=1S/C14H27NO2/c1-5-15-9-8-13(17-12-6-7-12)14(15)11(4)16-10(2)3/h10-14H,5-9H2,1-4H3/t11-,13-,14+/m0/s1
InChIKeyHYVNYZQENYNZFW-FPMFFAJLSA-N
XLogP2.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine
CID 177009798
(2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine
CID 177009917
ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177010106
(2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine
CID 167001762
(2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009553
butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
CID 178106224
(2R)-1-ethyl-2-(propan-2-yloxymethyl)azetidine
CID 154980113
(2R,3S)-3-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 168850357
(2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177091664
5-(difluoromethyl)-1-ethyl-2-propan-2-ylazepane
CID 175613640
ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane
CID 177009879
1-(1-cyclopropylethoxy)ethylcyclopropane
CID 23618436

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The IUPAC name of (2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (CID 177009745) is (2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.
What is the SMILES notation for (2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The canonical SMILES for (2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is CCN1CC[C@H](OC2CC2)[C@H]1[C@H](C)OC(C)C.
What is the InChIKey of (2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The InChIKey is HYVNYZQENYNZFW-FPMFFAJLSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-15-9-8-13(17-12-6-7-12)14(15)11(4)16-10(2)3/h10-14H,5-9H2,1-4H3/t11-,13-,14+/m0/s1.
What are the key properties of (2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
(2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine has a molecular weight of 241.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is sourced from PubChem (CID 177009745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).