(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine

C9H19NO2 — CID 99994845

IUPAC(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine
SMILESCC[C@H]1C[C@H](OCCOC)CN1
InChIInChI=1S/C9H19NO2/c1-3-8-6-9(7-10-8)12-5-4-11-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyPSWNGXXHQDIKHI-IUCAKERBSA-N
MW173.26 g/mol
LogP0.79
Rot. Bonds5

About (2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine

(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine (PubChem CID 99994845) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine
PubChem CID99994845
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine
SMILESCC[C@H]1C[C@H](OCCOC)CN1
InChIInChI=1S/C9H19NO2/c1-3-8-6-9(7-10-8)12-5-4-11-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyPSWNGXXHQDIKHI-IUCAKERBSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isopropyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 263171
(2s,4r)-4-Methoxy-2-(methoxymethyl)pyrrolidine
CID 13397591
(2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 57326560
(2S,4S)-4-fluoro-2-(2-methoxyethoxymethyl)pyrrolidine
CID 126506547
4-Fluoro-2-(2-methoxyethoxymethyl)pyrrolidine
CID 126542737
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
4-Fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 172328264
(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 57326559
(2S,4R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 57326561
(2R,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine
CID 99994987
(2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine
CID 99994990
(2R,4R)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine
CID 99994994

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine?
The IUPAC name of (2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine (CID 99994845) is (2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine.
What is the SMILES notation for (2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine?
The canonical SMILES for (2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine is CC[C@H]1C[C@H](OCCOC)CN1.
What is the InChIKey of (2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine?
The InChIKey is PSWNGXXHQDIKHI-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-8-6-9(7-10-8)12-5-4-11-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine?
(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine has a molecular weight of 173.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine is sourced from PubChem (CID 99994845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).