2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid

C6H10F3NO4 — CID 104644918

IUPAC2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
SMILESCC(O)(CNOCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO4/c1-5(13,4(11)12)2-10-14-3-6(7,8)9/h10,13H,2-3H2,1H3,(H,11,12)
InChIKeyPRUZLCLCXYBYBZ-UHFFFAOYSA-N
MW217.14 g/mol
LogP-0.09
Rot. Bonds5

About 2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid

2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid (PubChem CID 104644918) has the molecular formula C6H10F3NO4 and a molecular weight of 217.14 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
PubChem CID104644918
Molecular FormulaC6H10F3NO4
Molecular Weight217.14 g/mol
Exact Mass217.06
IUPAC Name2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
SMILESCC(O)(CNOCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO4/c1-5(13,4(11)12)2-10-14-3-6(7,8)9/h10,13H,2-3H2,1H3,(H,11,12)
InChIKeyPRUZLCLCXYBYBZ-UHFFFAOYSA-N
XLogP-0.09
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic 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

2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol
CID 114493475
2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol
CID 82721379
N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721531
2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
CID 82722618
2-hydroxy-2-methyl-3-(5,5,5-trifluoropentylamino)propanoic acid
CID 104644905
3-methyl-4-(2,2,2-trifluoroethoxyamino)but-2-enoic acid
CID 103261634
N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide
CID 107529803
methyl 3-(2,2,2-trifluoroethoxyamino)propanoate
CID 82722499
2,2-dimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid
CID 115427379
3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185
N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82722976
N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721266

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid (CID 104644918) is 2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid is CC(O)(CNOCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid?
The InChIKey is PRUZLCLCXYBYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4/c1-5(13,4(11)12)2-10-14-3-6(7,8)9/h10,13H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid?
2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid has a molecular weight of 217.14 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid is sourced from PubChem (CID 104644918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).