(2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide

C7H13FN2O3 — CID 88914306

IUPAC(2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCF
InChIInChI=1S/C7H13FN2O3/c1-5(11)10-6(3-13-2)7(12)9-4-8/h6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m1/s1
InChIKeyTWNVJXXAVRGTCD-ZCFIWIBFSA-N
MW192.19 g/mol
LogP-0.82
Rot. Bonds5

About (2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide

(2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide (PubChem CID 88914306) has the molecular formula C7H13FN2O3 and a molecular weight of 192.19 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide
PubChem CID88914306
Molecular FormulaC7H13FN2O3
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name(2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCF
InChIInChI=1S/C7H13FN2O3/c1-5(11)10-6(3-13-2)7(12)9-4-8/h6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m1/s1
InChIKeyTWNVJXXAVRGTCD-ZCFIWIBFSA-N
XLogP-0.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide 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 (2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide (CID 88914306) is (2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide is COC[C@@H](NC(C)=O)C(=O)NCF.
What is the InChIKey of (2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide?
The InChIKey is TWNVJXXAVRGTCD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13FN2O3/c1-5(11)10-6(3-13-2)7(12)9-4-8/h6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide?
(2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide has a molecular weight of 192.19 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide is sourced from PubChem (CID 88914306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).