2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide

C8H13F3N2O4 — CID 107362626

IUPAC2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide
SMILESNC(=O)C(O)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C8H13F3N2O4/c9-8(10,11)4-17-2-1-6(15)13-3-5(14)7(12)16/h5,14H,1-4H2,(H2,12,16)(H,13,15)
InChIKeyCLMKFKDVORBQMF-UHFFFAOYSA-N
MW258.20 g/mol
LogP-1.08
Rot. Bonds7

About 2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide

2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide (PubChem CID 107362626) has the molecular formula C8H13F3N2O4 and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide
PubChem CID107362626
Molecular FormulaC8H13F3N2O4
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide
SMILESNC(=O)C(O)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C8H13F3N2O4/c9-8(10,11)4-17-2-1-6(15)13-3-5(14)7(12)16/h5,14H,1-4H2,(H2,12,16)(H,13,15)
InChIKeyCLMKFKDVORBQMF-UHFFFAOYSA-N
XLogP-1.08
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide 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

N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103770915
N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103512606
N-(2-amino-2-sulfanylideneethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208314
3-methyl-2-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]butanoic acid
CID 65215233
2-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 107832677
N-(2-bromo-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107156756
N-(2-chloro-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107157536
N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212739
4-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 43354992
N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208692
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
CID 107261286
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide
CID 106173492

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide (CID 107362626) is 2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide is NC(=O)C(O)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of 2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide?
The InChIKey is CLMKFKDVORBQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O4/c9-8(10,11)4-17-2-1-6(15)13-3-5(14)7(12)16/h5,14H,1-4H2,(H2,12,16)(H,13,15).
What are the key properties of 2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide?
2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide has a molecular weight of 258.20 g/mol, XLogP of -1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide is sourced from PubChem (CID 107362626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).