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

C10H17Cl2N3O2 — CID 156506229

IUPACethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride
SMILESCCOC(=O)C(N)c1ncn2c1CCC2.Cl.Cl
InChIInChI=1S/C10H15N3O2.2ClH/c1-2-15-10(14)8(11)9-7-4-3-5-13(7)6-12-9;;/h6,8H,2-5,11H2,1H3;2*1H
InChIKeyQLXNIUWNXUXJBU-UHFFFAOYSA-N
MW282.17 g/mol
LogP1.24
Rot. Bonds3

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

ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride (PubChem CID 156506229) has the molecular formula C10H17Cl2N3O2 and a molecular weight of 282.17 g/mol. Its IUPAC name is ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride
PubChem CID156506229
Molecular FormulaC10H17Cl2N3O2
Molecular Weight282.17 g/mol
Exact Mass281.07
IUPAC Nameethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride
SMILESCCOC(=O)C(N)c1ncn2c1CCC2.Cl.Cl
InChIInChI=1S/C10H15N3O2.2ClH/c1-2-15-10(14)8(11)9-7-4-3-5-13(7)6-12-9;;/h6,8H,2-5,11H2,1H3;2*1H
InChIKeyQLXNIUWNXUXJBU-UHFFFAOYSA-N
XLogP1.24
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 51.24
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-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride?
The IUPAC name of ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride (CID 156506229) is ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride.
What is the SMILES notation for ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride?
The canonical SMILES for ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride is CCOC(=O)C(N)c1ncn2c1CCC2.Cl.Cl.
What is the InChIKey of ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride?
The InChIKey is QLXNIUWNXUXJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.2ClH/c1-2-15-10(14)8(11)9-7-4-3-5-13(7)6-12-9;;/h6,8H,2-5,11H2,1H3;2*1H.
What are the key properties of ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride?
ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride has a molecular weight of 282.17 g/mol, XLogP of 1.24, 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-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;dihydrochloride is sourced from PubChem (CID 156506229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).