3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid

C10H10F2N2O3 — CID 64896445

IUPAC3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid
SMILESNC(CC(=O)O)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2N2O3/c11-5-1-6(12)3-7(2-5)14-10(17)8(13)4-9(15)16/h1-3,8H,4,13H2,(H,14,17)(H,15,16)
InChIKeyCNSGVDSBXOLMFG-UHFFFAOYSA-N
MW244.20 g/mol
LogP0.71
Rot. Bonds4

About 3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid

3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid (PubChem CID 64896445) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is 3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid
PubChem CID64896445
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid
SMILESNC(CC(=O)O)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2N2O3/c11-5-1-6(12)3-7(2-5)14-10(17)8(13)4-9(15)16/h1-3,8H,4,13H2,(H,14,17)(H,15,16)
InChIKeyCNSGVDSBXOLMFG-UHFFFAOYSA-N
XLogP0.71
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid 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

2-amino-N-(3,5-difluorophenyl)-3-phenylpropanamide
CID 24703610
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
3-amino-4-(3-methylsulfanylanilino)-4-oxobutanoic acid
CID 64896435
(2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide
CID 103928376
(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
CID 113264156
(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide
CID 107365994
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)hexanamide
CID 103950769
3-amino-4-(5-bromo-2-fluoroanilino)-4-oxobutanoic acid
CID 64895277
3-amino-4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 64897236
potassium 4-[[(2S)-2-amino-3-carboxypropanoyl]amino]benzoate
CID 70303012
3-amino-4-(4-cyanoanilino)-4-oxobutanoic acid
CID 14479137
(2S)-2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylpentanamide
CID 107335024

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid (CID 64896445) is 3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid is NC(CC(=O)O)C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid?
The InChIKey is CNSGVDSBXOLMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c11-5-1-6(12)3-7(2-5)14-10(17)8(13)4-9(15)16/h1-3,8H,4,13H2,(H,14,17)(H,15,16).
What are the key properties of 3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid?
3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid has a molecular weight of 244.20 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid is sourced from PubChem (CID 64896445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).