3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid

C9H17F2NO2 — CID 60922948

IUPAC3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)CC(F)F
InChIInChI=1S/C9H17F2NO2/c1-9(2,3)12(6-7(10)11)5-4-8(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyIZAAJVPJPPLCHR-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.83
Rot. Bonds5

About 3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid

3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid (PubChem CID 60922948) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid
PubChem CID60922948
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)CC(F)F
InChIInChI=1S/C9H17F2NO2/c1-9(2,3)12(6-7(10)11)5-4-8(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyIZAAJVPJPPLCHR-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid (CID 60922948) is 3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid is CC(C)(C)N(CCC(=O)O)CC(F)F.
What is the InChIKey of 3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid?
The InChIKey is IZAAJVPJPPLCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-9(2,3)12(6-7(10)11)5-4-8(13)14/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid?
3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(2,2-difluoroethyl)amino]propanoic acid is sourced from PubChem (CID 60922948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).