[2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate

C10H14FN3O2 — CID 161138071

IUPAC[2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate
SMILESCC(=O)OCC(N)c1ncn2c1C[C@@H](F)C2
InChIInChI=1S/C10H14FN3O2/c1-6(15)16-4-8(12)10-9-2-7(11)3-14(9)5-13-10/h5,7-8H,2-4,12H2,1H3/t7-,8?/m1/s1
InChIKeyUNBGSRCLPPVBNR-GVHYBUMESA-N
MW227.24 g/mol
LogP0.34
Rot. Bonds3

About [2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate

[2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate (PubChem CID 161138071) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is [2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate.

Molecular Properties

Compound Name[2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate
PubChem CID161138071
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name[2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate
SMILESCC(=O)OCC(N)c1ncn2c1C[C@@H](F)C2
InChIInChI=1S/C10H14FN3O2/c1-6(15)16-4-8(12)10-9-2-7(11)3-14(9)5-13-10/h5,7-8H,2-4,12H2,1H3/t7-,8?/m1/s1
InChIKeyUNBGSRCLPPVBNR-GVHYBUMESA-N
XLogP0.34
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate?
The IUPAC name of [2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate (CID 161138071) is [2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate.
What is the SMILES notation for [2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate?
The canonical SMILES for [2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate is CC(=O)OCC(N)c1ncn2c1C[C@@H](F)C2.
What is the InChIKey of [2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate?
The InChIKey is UNBGSRCLPPVBNR-GVHYBUMESA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-6(15)16-4-8(12)10-9-2-7(11)3-14(9)5-13-10/h5,7-8H,2-4,12H2,1H3/t7-,8?/m1/s1.
What are the key properties of [2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate?
[2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate has a molecular weight of 227.24 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate is sourced from PubChem (CID 161138071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).