3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid

C10H18F3NO3 — CID 103243054

IUPAC3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid
SMILESCC(C)CC(CO)NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-6(2)3-7(5-15)14-4-8(9(16)17)10(11,12)13/h6-8,14-15H,3-5H2,1-2H3,(H,16,17)
InChIKeySVOHVDGFPQJMNB-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.25
Rot. Bonds7

About 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid

3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid (PubChem CID 103243054) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid
PubChem CID103243054
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid
SMILESCC(C)CC(CO)NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-6(2)3-7(5-15)14-4-8(9(16)17)10(11,12)13/h6-8,14-15H,3-5H2,1-2H3,(H,16,17)
InChIKeySVOHVDGFPQJMNB-UHFFFAOYSA-N
XLogP1.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]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

methyl (2S)-3-methyl-2-[[(2S,3S)-1,1,1-trifluoro-3-(hydroxymethyl)-4-methylpentan-2-yl]amino]butanoate
CID 139248281
methyl (2S)-4-methyl-2-[[(2S,3S)-1,1,1-trifluoro-3-(hydroxymethyl)-4-methylpentan-2-yl]amino]pentanoate
CID 139248282
Methyl (2S,3S)-3-methyl-2-{[(2S,3S)-1,1,1-trifluoro-3-(hydroxymethyl)-4-methylpentan-2-yl]amino}pentanoate
CID 139248283
methyl (2S)-3-methyl-2-[[(2R,3R)-1,1,1-trifluoro-3-(hydroxymethyl)-4-methylpentan-2-yl]amino]butanoate
CID 139248285
methyl (2S)-4-methyl-2-[[(2R,3R)-1,1,1-trifluoro-3-(hydroxymethyl)-4-methylpentan-2-yl]amino]pentanoate
CID 139248286
Methyl (2S,3S)-3-methyl-2-{[(2R,3R)-1,1,1-trifluoro-3-(hydroxymethyl)-4-methylpentan-2-yl]amino}pentanoate
CID 139248287
methyl (2S)-3-methyl-2-[[(2S,3R)-1,1,1-trifluoro-3-(hydroxymethyl)-4-methylpentan-2-yl]amino]butanoate
CID 139248289
methyl (2S)-4-methyl-2-[[(2S,3R)-1,1,1-trifluoro-3-(hydroxymethyl)-4-methylpentan-2-yl]amino]pentanoate
CID 139248290
methyl (2S)-3-methyl-2-[[(2S,3R)-1,1,1-trifluoro-3-(hydroxymethyl)-4-methylpentan-2-yl]amino]pentanoate
CID 139248291
2-(2,2-Difluoropentan-3-ylamino)-4-methylpentanoic acid
CID 143876306
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
CID 54962234
3,3,3-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247486

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid (CID 103243054) is 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid is CC(C)CC(CO)NCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid?
The InChIKey is SVOHVDGFPQJMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-6(2)3-7(5-15)14-4-8(9(16)17)10(11,12)13/h6-8,14-15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid is sourced from PubChem (CID 103243054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).