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

C10H15ClFN3O2 — CID 156506494

IUPACethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;hydrochloride
SMILESCCOC(=O)C(N)c1ncn2c1C[C@@H](F)C2.Cl
InChIInChI=1S/C10H14FN3O2.ClH/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;1H/t6-,8?;/m1./s1
InChIKeyUNKJFRPRVAQLLW-GAQJHFJWSA-N
MW263.70 g/mol
LogP0.76
Rot. Bonds3

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

ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;hydrochloride (PubChem CID 156506494) has the molecular formula C10H15ClFN3O2 and a molecular weight of 263.70 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;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;hydrochloride
PubChem CID156506494
Molecular FormulaC10H15ClFN3O2
Molecular Weight263.70 g/mol
Exact Mass263.08
IUPAC Nameethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;hydrochloride
SMILESCCOC(=O)C(N)c1ncn2c1C[C@@H](F)C2.Cl
InChIInChI=1S/C10H14FN3O2.ClH/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;1H/t6-,8?;/m1./s1
InChIKeyUNKJFRPRVAQLLW-GAQJHFJWSA-N
XLogP0.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 50.76
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;hydrochloride?
The IUPAC name of ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;hydrochloride (CID 156506494) is ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;hydrochloride.
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;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;hydrochloride is CCOC(=O)C(N)c1ncn2c1C[C@@H](F)C2.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;hydrochloride?
The InChIKey is UNKJFRPRVAQLLW-GAQJHFJWSA-N. The full InChI is InChI=1S/C10H14FN3O2.ClH/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;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;hydrochloride?
ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate;hydrochloride has a molecular weight of 263.70 g/mol, XLogP of 0.76, 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;hydrochloride is sourced from PubChem (CID 156506494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).