2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid

C10H18F3NO3 — CID 106807151

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

About 2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid

2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid (PubChem CID 106807151) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid
PubChem CID106807151
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid
SMILESCCC(N)(CCCOCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-2-9(14,8(15)16)4-3-6-17-7-5-10(11,12)13/h2-7,14H2,1H3,(H,15,16)
InChIKeyATCCSIGQQFPXGI-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-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761
2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid
CID 106807179
2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82792259
2-amino-5-cycloheptyloxy-2-ethylpentanoic acid
CID 106806735
2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propanoic acid
CID 82788319
2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106487383
2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid
CID 106806458
2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
CID 106805783
2-methyl-2-(methylamino)-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82793311
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid (CID 106807151) is 2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid is CCC(N)(CCCOCCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid?
The InChIKey is ATCCSIGQQFPXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-2-9(14,8(15)16)4-3-6-17-7-5-10(11,12)13/h2-7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid?
2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)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-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid is sourced from PubChem (CID 106807151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).