2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid

C10H18F3NO3 — CID 65265688

IUPAC2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid
SMILESCC(C)(NCC(O)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-8(2,7(16)17)9(3,4)14-5-6(15)10(11,12)13/h6,14-15H,5H2,1-4H3,(H,16,17)
InChIKeyUHOMJBZCQQPDQA-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.39
Rot. Bonds5

About 2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid

2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid (PubChem CID 65265688) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid
PubChem CID65265688
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid
SMILESCC(C)(NCC(O)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-8(2,7(16)17)9(3,4)14-5-6(15)10(11,12)13/h6,14-15H,5H2,1-4H3,(H,16,17)
InChIKeyUHOMJBZCQQPDQA-UHFFFAOYSA-N
XLogP1.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3-Trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid
CID 65264419
2,2,3-Trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid
CID 65265184
3-(2,2-Difluoroethylamino)-2,2,3-trimethylbutanoic acid
CID 65265307
2,2,3-Trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid
CID 65265606
2,2,3-Trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid
CID 65265779
2,2,3-Trimethyl-3-[2-(trifluoromethoxy)ethylamino]butanoic acid
CID 65804578
2-Methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid
CID 79790721
2-Ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid
CID 79810251
3-(2-Fluoroethylamino)-2,2,3-trimethylbutanoic acid
CID 80696079
3-(3-Fluoropropylamino)-2,2,3-trimethylbutanoic acid
CID 81113051
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid
CID 103249101
3,3,3-Trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid
CID 103253098

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid (CID 65265688) is 2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid is CC(C)(NCC(O)C(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid?
The InChIKey is UHOMJBZCQQPDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-8(2,7(16)17)9(3,4)14-5-6(15)10(11,12)13/h6,14-15H,5H2,1-4H3,(H,16,17).
What are the key properties of 2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid?
2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid is sourced from PubChem (CID 65265688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).