2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid

C10H17F4NO3 — CID 55143381

IUPAC2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
SMILESCC(C)NC(CCOCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C10H17F4NO3/c1-6(2)15-7(8(16)17)3-4-18-5-10(13,14)9(11)12/h6-7,9,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyOTURIAJIWQUKSM-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.74
Rot. Bonds9

About 2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid

2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid (PubChem CID 55143381) has the molecular formula C10H17F4NO3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
PubChem CID55143381
Molecular FormulaC10H17F4NO3
Molecular Weight275.24 g/mol
Exact Mass275.11
IUPAC Name2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
SMILESCC(C)NC(CCOCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C10H17F4NO3/c1-6(2)15-7(8(16)17)3-4-18-5-10(13,14)9(11)12/h6-7,9,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyOTURIAJIWQUKSM-UHFFFAOYSA-N
XLogP1.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid?
The IUPAC name of 2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid (CID 55143381) is 2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid.
What is the SMILES notation for 2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid?
The canonical SMILES for 2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid is CC(C)NC(CCOCC(F)(F)C(F)F)C(=O)O.
What is the InChIKey of 2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid?
The InChIKey is OTURIAJIWQUKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO3/c1-6(2)15-7(8(16)17)3-4-18-5-10(13,14)9(11)12/h6-7,9,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid?
2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid has a molecular weight of 275.24 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid is sourced from PubChem (CID 55143381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).