3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid

C10H20FNO2 — CID 81113051

IUPAC3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NCCCF)C(C)(C)C(=O)O
InChIInChI=1S/C10H20FNO2/c1-9(2,8(13)14)10(3,4)12-7-5-6-11/h12H,5-7H2,1-4H3,(H,13,14)
InChIKeyWTDSWFALYQAPHU-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.83
Rot. Bonds6

About 3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid

3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid (PubChem CID 81113051) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is 3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid
PubChem CID81113051
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Name3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NCCCF)C(C)(C)C(=O)O
InChIInChI=1S/C10H20FNO2/c1-9(2,8(13)14)10(3,4)12-7-5-6-11/h12H,5-7H2,1-4H3,(H,13,14)
InChIKeyWTDSWFALYQAPHU-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid (CID 81113051) is 3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid is CC(C)(NCCCF)C(C)(C)C(=O)O.
What is the InChIKey of 3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid?
The InChIKey is WTDSWFALYQAPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-9(2,8(13)14)10(3,4)12-7-5-6-11/h12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid?
3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid has a molecular weight of 205.27 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylamino)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 81113051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).