2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid

C6H10F3NO3 — CID 61490488

IUPAC2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
SMILESNC(CCOCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)3-13-2-1-4(10)5(11)12/h4H,1-3,10H2,(H,11,12)
InChIKeyUXDYGIBAJYJFCB-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.37
Rot. Bonds5

About 2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid

2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid (PubChem CID 61490488) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
PubChem CID61490488
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
SMILESNC(CCOCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)3-13-2-1-4(10)5(11)12/h4H,1-3,10H2,(H,11,12)
InChIKeyUXDYGIBAJYJFCB-UHFFFAOYSA-N
XLogP0.37
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.37
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

(2S)-2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 106702742
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-amino-4-(3-oxobutoxy)butanoic acid
CID 146272358
2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646
2-(ethylamino)-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 63039882
2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 63040815
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid?
The IUPAC name of 2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid (CID 61490488) is 2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid.
What is the SMILES notation for 2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid?
The canonical SMILES for 2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid is NC(CCOCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid?
The InChIKey is UXDYGIBAJYJFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c7-6(8,9)3-13-2-1-4(10)5(11)12/h4H,1-3,10H2,(H,11,12).
What are the key properties of 2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid?
2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid has a molecular weight of 201.14 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid is sourced from PubChem (CID 61490488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).