4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide

C8H17FN2O3 — CID 123716398

IUPAC4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
SMILESCC(O)C(C)NC(=O)C(O)C(F)CN
InChIInChI=1S/C8H17FN2O3/c1-4(5(2)12)11-8(14)7(13)6(9)3-10/h4-7,12-13H,3,10H2,1-2H3,(H,11,14)
InChIKeyWZOSODQLVLQODN-UHFFFAOYSA-N
MW208.23 g/mol
LogP-1.47
Rot. Bonds5

About 4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide

4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide (PubChem CID 123716398) has the molecular formula C8H17FN2O3 and a molecular weight of 208.23 g/mol. Its IUPAC name is 4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
PubChem CID123716398
Molecular FormulaC8H17FN2O3
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
SMILESCC(O)C(C)NC(=O)C(O)C(F)CN
InChIInChI=1S/C8H17FN2O3/c1-4(5(2)12)11-8(14)7(13)6(9)3-10/h4-7,12-13H,3,10H2,1-2H3,(H,11,14)
InChIKeyWZOSODQLVLQODN-UHFFFAOYSA-N
XLogP-1.47
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide 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 4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide?
The IUPAC name of 4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide (CID 123716398) is 4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide.
What is the SMILES notation for 4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide?
The canonical SMILES for 4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide is CC(O)C(C)NC(=O)C(O)C(F)CN.
What is the InChIKey of 4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide?
The InChIKey is WZOSODQLVLQODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O3/c1-4(5(2)12)11-8(14)7(13)6(9)3-10/h4-7,12-13H,3,10H2,1-2H3,(H,11,14).
What are the key properties of 4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide?
4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide has a molecular weight of 208.23 g/mol, XLogP of -1.47, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide is sourced from PubChem (CID 123716398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).