2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid

C11H11F3N2O4 — CID 107840313

IUPAC2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid
SMILESO=C(NCCC(O)C(=O)O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C11H11F3N2O4/c12-5-3-6(13)9(7(14)4-5)16-11(20)15-2-1-8(17)10(18)19/h3-4,8,17H,1-2H2,(H,18,19)(H2,15,16,20)
InChIKeyHTAASRCCINMDKO-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.06
Rot. Bonds5

About 2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid

2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid (PubChem CID 107840313) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid
PubChem CID107840313
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid
SMILESO=C(NCCC(O)C(=O)O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C11H11F3N2O4/c12-5-3-6(13)9(7(14)4-5)16-11(20)15-2-1-8(17)10(18)19/h3-4,8,17H,1-2H2,(H,18,19)(H2,15,16,20)
InChIKeyHTAASRCCINMDKO-UHFFFAOYSA-N
XLogP1.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic 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

4-[(3,5-difluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114007145
4-[(5-bromo-2,4-difluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107841425
4-[(2,4-difluorophenyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107839612
(2S)-4-[(2,4-difluorophenyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107839613
(2S)-2-hydroxy-4-[(2,4,6-tribromophenyl)carbamoylamino]butanoic acid
CID 107838027
4-[(5-bromo-2-fluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114007198
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
(2S)-4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838409
(2S)-4-[(4-ethoxy-3-fluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840883
4-[(3-fluoro-4-nitrophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840687
(2S)-4-[(4-fluorophenyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107838142
2-hydroxy-4-[(3,4,5-trifluorobenzoyl)amino]butanoic acid
CID 114006336

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid (CID 107840313) is 2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid is O=C(NCCC(O)C(=O)O)Nc1c(F)cc(F)cc1F.
What is the InChIKey of 2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid?
The InChIKey is HTAASRCCINMDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c12-5-3-6(13)9(7(14)4-5)16-11(20)15-2-1-8(17)10(18)19/h3-4,8,17H,1-2H2,(H,18,19)(H2,15,16,20).
What are the key properties of 2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid?
2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid has a molecular weight of 292.21 g/mol, XLogP of 1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 107840313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).