N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide

C11H16FNO5 — CID 118911940

IUPACN-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide
SMILESCC(=O)/C=C\N(C(C)=O)[C@@H]1O[C@H](CO)C(O)[C@@H]1F
InChIInChI=1S/C11H16FNO5/c1-6(15)3-4-13(7(2)16)11-9(12)10(17)8(5-14)18-11/h3-4,8-11,14,17H,5H2,1-2H3/b4-3-/t8-,9+,10?,11-/m1/s1
InChIKeyOEJQGQKQZXEWKQ-IQWDLYMASA-N
MW261.25 g/mol
LogP-0.65
Rot. Bonds4

About N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide

N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide (PubChem CID 118911940) has the molecular formula C11H16FNO5 and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide
PubChem CID118911940
Molecular FormulaC11H16FNO5
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC NameN-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide
SMILESCC(=O)/C=C\N(C(C)=O)[C@@H]1O[C@H](CO)C(O)[C@@H]1F
InChIInChI=1S/C11H16FNO5/c1-6(15)3-4-13(7(2)16)11-9(12)10(17)8(5-14)18-11/h3-4,8-11,14,17H,5H2,1-2H3/b4-3-/t8-,9+,10?,11-/m1/s1
InChIKeyOEJQGQKQZXEWKQ-IQWDLYMASA-N
XLogP-0.65
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide?
The IUPAC name of N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide (CID 118911940) is N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide.
What is the SMILES notation for N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide?
The canonical SMILES for N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide is CC(=O)/C=C\N(C(C)=O)[C@@H]1O[C@H](CO)C(O)[C@@H]1F.
What is the InChIKey of N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide?
The InChIKey is OEJQGQKQZXEWKQ-IQWDLYMASA-N. The full InChI is InChI=1S/C11H16FNO5/c1-6(15)3-4-13(7(2)16)11-9(12)10(17)8(5-14)18-11/h3-4,8-11,14,17H,5H2,1-2H3/b4-3-/t8-,9+,10?,11-/m1/s1.
What are the key properties of N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide?
N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide has a molecular weight of 261.25 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide is sourced from PubChem (CID 118911940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).