2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid

C10H18F3NO3 — CID 82792259

IUPAC2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid
SMILESCC(N)(CCCOCCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-9(14,8(15)16)4-2-6-17-7-3-5-10(11,12)13/h2-7,14H2,1H3,(H,15,16)
InChIKeyRIXKVVSCNCEDMZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.93
Rot. Bonds8

About 2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid

2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid (PubChem CID 82792259) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid
PubChem CID82792259
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid
SMILESCC(N)(CCCOCCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-9(14,8(15)16)4-2-6-17-7-3-5-10(11,12)13/h2-7,14H2,1H3,(H,15,16)
InChIKeyRIXKVVSCNCEDMZ-UHFFFAOYSA-N
XLogP1.93
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propanoic acid
CID 82788319
2-methyl-2-(methylamino)-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82793311
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid
CID 106807151
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
CID 106204685
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783636
2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid
CID 106204271
2-methyl-2-(propylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783635
[2,3-dimethyl-6-(4,4,4-trifluorobutoxy)hexan-3-yl] acetate
CID 123273899
2,6-diamino-2-methylhexanoic acid
CID 3017540
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid?
The IUPAC name of 2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid (CID 82792259) is 2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid is CC(N)(CCCOCCCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid?
The InChIKey is RIXKVVSCNCEDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-9(14,8(15)16)4-2-6-17-7-3-5-10(11,12)13/h2-7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid?
2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid is sourced from PubChem (CID 82792259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).