2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid

C10H17F2NO2 — CID 174608451

IUPAC2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(N[C@@H]1CCC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H17F2NO2/c1-3-9(2,8(14)15)13-7-4-5-10(11,12)6-7/h7,13H,3-6H2,1-2H3,(H,14,15)/t7-,9?/m1/s1
InChIKeyXETYAIMWBFOUDT-YOXFSPIKSA-N
MW221.25 g/mol
LogP2.02
Rot. Bonds4

About 2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid

2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid (PubChem CID 174608451) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid
PubChem CID174608451
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(N[C@@H]1CCC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H17F2NO2/c1-3-9(2,8(14)15)13-7-4-5-10(11,12)6-7/h7,13H,3-6H2,1-2H3,(H,14,15)/t7-,9?/m1/s1
InChIKeyXETYAIMWBFOUDT-YOXFSPIKSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid (CID 174608451) is 2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid is CCC(C)(N[C@@H]1CCC(F)(F)C1)C(=O)O.
What is the InChIKey of 2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid?
The InChIKey is XETYAIMWBFOUDT-YOXFSPIKSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-3-9(2,8(14)15)13-7-4-5-10(11,12)6-7/h7,13H,3-6H2,1-2H3,(H,14,15)/t7-,9?/m1/s1.
What are the key properties of 2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid?
2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid has a molecular weight of 221.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-3,3-difluorocyclopentyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 174608451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).