trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

C13H20FN3O — CID 167889869

IUPACtrans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1NCC1(F)CC1
InChIInChI=1S/C13H20FN3O/c14-13(1-2-13)8-16-11-5-10(6-12(11)18)7-17-4-3-15-9-17/h3-4,9-12,16,18H,1-2,5-8H2/t10?,11-,12-/m1/s1
InChIKeyFCVQTKZSBRXPGN-PQDIPPBSSA-N
MW253.32 g/mol
LogP1.11
Rot. Bonds5

About trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 167889869) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID167889869
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Nametrans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1NCC1(F)CC1
InChIInChI=1S/C13H20FN3O/c14-13(1-2-13)8-16-11-5-10(6-12(11)18)7-17-4-3-15-9-17/h3-4,9-12,16,18H,1-2,5-8H2/t10?,11-,12-/m1/s1
InChIKeyFCVQTKZSBRXPGN-PQDIPPBSSA-N
XLogP1.11
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (CID 167889869) is trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is O[C@@H]1CC(Cn2ccnc2)C[C@H]1NCC1(F)CC1.
What is the InChIKey of trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is FCVQTKZSBRXPGN-PQDIPPBSSA-N. The full InChI is InChI=1S/C13H20FN3O/c14-13(1-2-13)8-16-11-5-10(6-12(11)18)7-17-4-3-15-9-17/h3-4,9-12,16,18H,1-2,5-8H2/t10?,11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 167889869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).