2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide

C15H20FN3O3 — CID 128971706

IUPAC2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)COc1ccccc1
InChIInChI=1S/C15H20FN3O3/c16-11-6-12(19(8-11)9-14(17)20)7-18-15(21)10-22-13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H2,17,20)(H,18,21)/t11-,12-/m0/s1
InChIKeyJMWROQDJMMRGOL-RYUDHWBXSA-N
MW309.34 g/mol
LogP0.08
Rot. Bonds7

About 2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide

2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide (PubChem CID 128971706) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide
PubChem CID128971706
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)COc1ccccc1
InChIInChI=1S/C15H20FN3O3/c16-11-6-12(19(8-11)9-14(17)20)7-18-15(21)10-22-13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H2,17,20)(H,18,21)/t11-,12-/m0/s1
InChIKeyJMWROQDJMMRGOL-RYUDHWBXSA-N
XLogP0.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide 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

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide
CID 128974006
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
CID 97180854
N-[[2-[[(2-phenoxyacetyl)amino]methyl]cyclohexyl]methyl]propanamide
CID 159510445
2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
CID 30394821
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide
CID 61126897
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087672
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674
N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide
CID 114147724
2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide
CID 62666698
N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 2921835

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide (CID 128971706) is 2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide is NC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)COc1ccccc1.
What is the InChIKey of 2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is JMWROQDJMMRGOL-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H20FN3O3/c16-11-6-12(19(8-11)9-14(17)20)7-18-15(21)10-22-13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H2,17,20)(H,18,21)/t11-,12-/m0/s1.
What are the key properties of 2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide?
2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 309.34 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128971706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).