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

C10H18F3NO3 — CID 106487383

IUPAC2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
SMILESCCC(CN)(CCCOCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-2-9(6-14,8(15)16)4-3-5-17-7-10(11,12)13/h2-7,14H2,1H3,(H,15,16)
InChIKeyWEMLXOBKIFLXRU-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.79
Rot. Bonds8

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

2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid (PubChem CID 106487383) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
PubChem CID106487383
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
SMILESCCC(CN)(CCCOCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-2-9(6-14,8(15)16)4-3-5-17-7-10(11,12)13/h2-7,14H2,1H3,(H,15,16)
InChIKeyWEMLXOBKIFLXRU-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 55106871
2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid
CID 106487407
2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106806903
methyl 2-(aminomethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoate
CID 106487872
2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid
CID 106706834
2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid
CID 106807151
2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propanoic acid
CID 82788319
2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid
CID 71623084
2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82792259
2-(aminomethyl)-2-ethyl-4-ethylsulfonylbutanoic acid
CID 106487495
2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid
CID 79425699
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806894

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid (CID 106487383) is 2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid is CCC(CN)(CCCOCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The InChIKey is WEMLXOBKIFLXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-2-9(6-14,8(15)16)4-3-5-17-7-10(11,12)13/h2-7,14H2,1H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid?
2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid is sourced from PubChem (CID 106487383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).