2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid

C10H15F6NO3 — CID 106807179

IUPAC2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid
SMILESCCC(N)(CCCOC(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H15F6NO3/c1-2-8(17,7(18)19)4-3-5-20-6(9(11,12)13)10(14,15)16/h6H,2-5,17H2,1H3,(H,18,19)
InChIKeyMYZJYHINNGQSPV-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.47
Rot. Bonds7

About 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid

2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid (PubChem CID 106807179) has the molecular formula C10H15F6NO3 and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid
PubChem CID106807179
Molecular FormulaC10H15F6NO3
Molecular Weight311.22 g/mol
Exact Mass311.10
IUPAC Name2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid
SMILESCCC(N)(CCCOC(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H15F6NO3/c1-2-8(17,7(18)19)4-3-5-20-6(9(11,12)13)10(14,15)16/h6H,2-5,17H2,1H3,(H,18,19)
InChIKeyMYZJYHINNGQSPV-UHFFFAOYSA-N
XLogP2.47
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.47
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-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid
CID 106807151
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761
2-amino-5-cycloheptyloxy-2-ethylpentanoic acid
CID 106806735
2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid
CID 106806545
2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid
CID 106806458
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid
CID 102685236
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid
CID 102722825
2-amino-2-ethyl-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755879
2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid
CID 106805744
(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid
CID 144859243
2-amino-2-ethyl-6-(ethylamino)hexanoic acid
CID 123842280

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid (CID 106807179) is 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid is CCC(N)(CCCOC(C(F)(F)F)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid?
The InChIKey is MYZJYHINNGQSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO3/c1-2-8(17,7(18)19)4-3-5-20-6(9(11,12)13)10(14,15)16/h6H,2-5,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid?
2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid has a molecular weight of 311.22 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid is sourced from PubChem (CID 106807179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).