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

C9H16F3NO3 — CID 103253098

IUPAC3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid
SMILESCCC(C)(CO)NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-3-8(2,5-14)13-4-6(7(15)16)9(10,11)12/h6,13-14H,3-5H2,1-2H3,(H,15,16)
InChIKeyZTWZWOPEJLQTLH-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.00
Rot. Bonds6

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

3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid (PubChem CID 103253098) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid
PubChem CID103253098
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid
SMILESCCC(C)(CO)NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-3-8(2,5-14)13-4-6(7(15)16)9(10,11)12/h6,13-14H,3-5H2,1-2H3,(H,15,16)
InChIKeyZTWZWOPEJLQTLH-UHFFFAOYSA-N
XLogP1.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid with MolForge

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Related Compounds

Propanoic acid, 3-[(2-hydroxy-1,1-dimethylethyl)amino]-2-methyl-
CID 43538678
Propanoic acid, 3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-2-methyl-
CID 88894421
3-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid
CID 54961874
2,2,3-Trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid
CID 65265184
2,2,3-Trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid
CID 65265688
2,2,3-Trimethyl-3-[2-(trifluoromethoxy)ethylamino]butanoic acid
CID 65804578
2-Methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid
CID 79396878
2-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid
CID 79790327
2-Methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid
CID 79790721
3,3,3-Trifluoro-2-methyl-2-[2-(3-methylbutoxy)ethylamino]propanoic acid
CID 79791175
3,3,3-Trifluoro-2-(3-hydroxypropylamino)-2-methylpropanoic acid
CID 79792001
3,3,3-Trifluoro-2-[(3-methylbutan-2-ylamino)methyl]propanoic acid
CID 103230432

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid (CID 103253098) is 3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid is CCC(C)(CO)NCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid?
The InChIKey is ZTWZWOPEJLQTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-3-8(2,5-14)13-4-6(7(15)16)9(10,11)12/h6,13-14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid has a molecular weight of 243.22 g/mol, XLogP of 1.00, 6 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-2-methylbutan-2-yl)amino]methyl]propanoic acid is sourced from PubChem (CID 103253098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).