2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid

C13H24F3NO3 — CID 106807111

IUPAC2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
SMILESCCCNC(CC)(CCCOC(C)C(F)(F)F)C(=O)O
InChIInChI=1S/C13H24F3NO3/c1-4-8-17-12(5-2,11(18)19)7-6-9-20-10(3)13(14,15)16/h10,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyQYSXFFNIVKPTAJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.97
Rot. Bonds10

About 2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid

2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid (PubChem CID 106807111) has the molecular formula C13H24F3NO3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
PubChem CID106807111
Molecular FormulaC13H24F3NO3
Molecular Weight299.33 g/mol
Exact Mass299.17
IUPAC Name2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
SMILESCCCNC(CC)(CCCOC(C)C(F)(F)F)C(=O)O
InChIInChI=1S/C13H24F3NO3/c1-4-8-17-12(5-2,11(18)19)7-6-9-20-10(3)13(14,15)16/h10,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyQYSXFFNIVKPTAJ-UHFFFAOYSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.97
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-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide
CID 66275068
5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid
CID 106806896
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid
CID 106806747
4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid
CID 114868055
methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66275923
5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806270
2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106806903
5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806056
2-ethyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810631
2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide
CID 66274633
3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol
CID 106811572
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid
CID 102722825

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid?
The IUPAC name of 2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid (CID 106807111) is 2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid is CCCNC(CC)(CCCOC(C)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid?
The InChIKey is QYSXFFNIVKPTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO3/c1-4-8-17-12(5-2,11(18)19)7-6-9-20-10(3)13(14,15)16/h10,17H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid?
2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid is sourced from PubChem (CID 106807111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).