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

C10H16Cl2FN3O2 — CID 156505846

IUPACethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride
SMILESCCOC(=O)C(N)c1ncn2c1C[C@@H](F)C2.Cl.Cl
InChIInChI=1S/C10H14FN3O2.2ClH/c1-2-16-10(15)8(12)9-7-3-6(11)4-14(7)5-13-9;;/h5-6,8H,2-4,12H2,1H3;2*1H/t6-,8?;;/m1../s1
InChIKeyYFVYWRXVXOBDFH-JZDKQNQUSA-N
MW300.16 g/mol
LogP1.18
Rot. Bonds3

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

ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride (PubChem CID 156505846) has the molecular formula C10H16Cl2FN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride
PubChem CID156505846
Molecular FormulaC10H16Cl2FN3O2
Molecular Weight300.16 g/mol
Exact Mass299.06
IUPAC Nameethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride
SMILESCCOC(=O)C(N)c1ncn2c1C[C@@H](F)C2.Cl.Cl
InChIInChI=1S/C10H14FN3O2.2ClH/c1-2-16-10(15)8(12)9-7-3-6(11)4-14(7)5-13-9;;/h5-6,8H,2-4,12H2,1H3;2*1H/t6-,8?;;/m1../s1
InChIKeyYFVYWRXVXOBDFH-JZDKQNQUSA-N
XLogP1.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride?
The IUPAC name of ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride (CID 156505846) is ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride.
What is the SMILES notation for ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride?
The canonical SMILES for ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride is CCOC(=O)C(N)c1ncn2c1C[C@@H](F)C2.Cl.Cl.
What is the InChIKey of ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride?
The InChIKey is YFVYWRXVXOBDFH-JZDKQNQUSA-N. The full InChI is InChI=1S/C10H14FN3O2.2ClH/c1-2-16-10(15)8(12)9-7-3-6(11)4-14(7)5-13-9;;/h5-6,8H,2-4,12H2,1H3;2*1H/t6-,8?;;/m1../s1.
What are the key properties of ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride?
ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride has a molecular weight of 300.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;dihydrochloride is sourced from PubChem (CID 156505846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).