(2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine

C10H21NO2 — CID 177009798

IUPAC(2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine
SMILESCCN1CC[C@H](OC)[C@H]1[C@H](C)OC
InChIInChI=1S/C10H21NO2/c1-5-11-7-6-9(13-4)10(11)8(2)12-3/h8-10H,5-7H2,1-4H3/t8-,9-,10+/m0/s1
InChIKeyFNCYLHCJKVOANC-LPEHRKFASA-N
MW187.28 g/mol
LogP1.13
Rot. Bonds4

About (2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine

(2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine (PubChem CID 177009798) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine.

Molecular Properties

Compound Name(2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine
PubChem CID177009798
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine
SMILESCCN1CC[C@H](OC)[C@H]1[C@H](C)OC
InChIInChI=1S/C10H21NO2/c1-5-11-7-6-9(13-4)10(11)8(2)12-3/h8-10H,5-7H2,1-4H3/t8-,9-,10+/m0/s1
InChIKeyFNCYLHCJKVOANC-LPEHRKFASA-N
XLogP1.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine
CID 177009917
butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
CID 178106224
(2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009745
1-ethyl-2-(1-methoxyethyl)-4-methylpiperazine
CID 175342115
1-ethyl-2-(methoxymethyl)azetidine
CID 123419729
(2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane
CID 177009607
ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane
CID 177009879
(2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine
CID 167001762
(2R)-1-ethyl-2-(propan-2-yloxymethyl)azetidine
CID 154980113
ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol
CID 177009838
3,4-dimethoxy-1-propan-2-ylpiperidine
CID 126655674
5-(difluoromethyl)-1-ethyl-2-propan-2-ylazepane
CID 175613640

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine?
The IUPAC name of (2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine (CID 177009798) is (2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine.
What is the SMILES notation for (2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine?
The canonical SMILES for (2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine is CCN1CC[C@H](OC)[C@H]1[C@H](C)OC.
What is the InChIKey of (2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine?
The InChIKey is FNCYLHCJKVOANC-LPEHRKFASA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-11-7-6-9(13-4)10(11)8(2)12-3/h8-10H,5-7H2,1-4H3/t8-,9-,10+/m0/s1.
What are the key properties of (2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine?
(2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine is sourced from PubChem (CID 177009798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).