[(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid

C10H19FN2O2 — CID 67034982

IUPAC[(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1C[C@@H](N)C[C@H]1F
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)13(9(14)15)8-5-6(12)4-7(8)11/h6-8H,4-5,12H2,1-3H3,(H,14,15)/t6-,7+,8+/m0/s1
InChIKeyYIWGEBKWFSBHTB-XLPZGREQSA-N
MW218.27 g/mol
LogP1.59
Rot. Bonds1

About [(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid

[(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid (PubChem CID 67034982) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is [(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid
PubChem CID67034982
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name[(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1C[C@@H](N)C[C@H]1F
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)13(9(14)15)8-5-6(12)4-7(8)11/h6-8H,4-5,12H2,1-3H3,(H,14,15)/t6-,7+,8+/m0/s1
InChIKeyYIWGEBKWFSBHTB-XLPZGREQSA-N
XLogP1.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid?
The IUPAC name of [(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid (CID 67034982) is [(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid.
What is the SMILES notation for [(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid?
The canonical SMILES for [(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1C[C@@H](N)C[C@H]1F.
What is the InChIKey of [(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid?
The InChIKey is YIWGEBKWFSBHTB-XLPZGREQSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-10(2,3)13(9(14)15)8-5-6(12)4-7(8)11/h6-8H,4-5,12H2,1-3H3,(H,14,15)/t6-,7+,8+/m0/s1.
What are the key properties of [(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid?
[(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid has a molecular weight of 218.27 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R)-4-amino-2-fluorocyclopentyl]-tert-butylcarbamic acid is sourced from PubChem (CID 67034982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).