(2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid

C7H11F3N2O4 — CID 107823851

IUPAC(2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
SMILESO=C(NCC(F)(F)F)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C7H11F3N2O4/c8-7(9,10)3-11-6(16)12-4(1-2-13)5(14)15/h4,13H,1-3H2,(H,14,15)(H2,11,12,16)/t4-/m0/s1
InChIKeyRGIRMRAOBOKJCZ-BYPYZUCNSA-N
MW244.17 g/mol
LogP-0.32
Rot. Bonds5

About (2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid

(2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid (PubChem CID 107823851) has the molecular formula C7H11F3N2O4 and a molecular weight of 244.17 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
PubChem CID107823851
Molecular FormulaC7H11F3N2O4
Molecular Weight244.17 g/mol
Exact Mass244.07
IUPAC Name(2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
SMILESO=C(NCC(F)(F)F)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C7H11F3N2O4/c8-7(9,10)3-11-6(16)12-4(1-2-13)5(14)15/h4,13H,1-3H2,(H,14,15)(H2,11,12,16)/t4-/m0/s1
InChIKeyRGIRMRAOBOKJCZ-BYPYZUCNSA-N
XLogP-0.32
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)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

(2R)-5-amino-5-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoic acid
CID 107830131
(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid
CID 106279185
(2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 107822678
(2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid
CID 107827881
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825557
(2R)-4-hydroxy-2-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 107823042
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 107825465
4-hydroxy-2-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid
CID 61243888
4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid
CID 114618138
(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 79010445
(2S)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 114175731

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid (CID 107823851) is (2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid is O=C(NCC(F)(F)F)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid?
The InChIKey is RGIRMRAOBOKJCZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H11F3N2O4/c8-7(9,10)3-11-6(16)12-4(1-2-13)5(14)15/h4,13H,1-3H2,(H,14,15)(H2,11,12,16)/t4-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid?
(2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid has a molecular weight of 244.17 g/mol, XLogP of -0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107823851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).