2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid

C10H18F3NO3 — CID 106806905

IUPAC2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
SMILESCCC(CCCOCC(F)(F)F)(NC)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-3-9(14-2,8(15)16)5-4-6-17-7-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,16)
InChIKeyBQPNRUWPSIANJW-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.80
Rot. Bonds8

About 2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid

2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid (PubChem CID 106806905) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
PubChem CID106806905
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
SMILESCCC(CCCOCC(F)(F)F)(NC)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-3-9(14-2,8(15)16)5-4-6-17-7-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,16)
InChIKeyBQPNRUWPSIANJW-UHFFFAOYSA-N
XLogP1.80
TPSA58.56 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 ≤ 51.80
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

4-(2,2-Difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid
CID 18446275
2-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentanoic acid
CID 54961876
2-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid
CID 61490552
2-Methyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937363
2-(Ethylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937364
2-Methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937567
2-Methyl-2-(propan-2-ylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937568
2-(Cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937982
Methyl 2-methyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoate
CID 61938185
Ethyl 2-methyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoate
CID 61938186
Methyl 2-(ethylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoate
CID 61938387
Ethyl 2-(ethylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoate
CID 61938388

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid (CID 106806905) is 2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid is CCC(CCCOCC(F)(F)F)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The InChIKey is BQPNRUWPSIANJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-3-9(14-2,8(15)16)5-4-6-17-7-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid?
2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid is sourced from PubChem (CID 106806905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).