(2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide

C10H19FN2O2 — CID 70966982

IUPAC(2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide
SMILESCCOCCN(C)C(=O)[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C10H19FN2O2/c1-3-15-5-4-13(2)10(14)9-6-8(11)7-12-9/h8-9,12H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyWDDOOHNQUBQMRK-IUCAKERBSA-N
MW218.27 g/mol
LogP0.18
Rot. Bonds5

About (2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide

(2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide (PubChem CID 70966982) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is (2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide
PubChem CID70966982
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name(2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide
SMILESCCOCCN(C)C(=O)[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C10H19FN2O2/c1-3-15-5-4-13(2)10(14)9-6-8(11)7-12-9/h8-9,12H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyWDDOOHNQUBQMRK-IUCAKERBSA-N
XLogP0.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide (CID 70966982) is (2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide is CCOCCN(C)C(=O)[C@@H]1C[C@H](F)CN1.
What is the InChIKey of (2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide?
The InChIKey is WDDOOHNQUBQMRK-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-3-15-5-4-13(2)10(14)9-6-8(11)7-12-9/h8-9,12H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide?
(2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide has a molecular weight of 218.27 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70966982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).