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

C10H16ClN3O2 — CID 155906137

IUPACethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;hydrochloride
SMILESCCOC(=O)C(N)c1ncn2c1CCC2.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-2-15-10(14)8(11)9-7-4-3-5-13(7)6-12-9;/h6,8H,2-5,11H2,1H3;1H
InChIKeyZQRXUCVICONDRK-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.81
Rot. Bonds3

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

ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;hydrochloride (PubChem CID 155906137) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;hydrochloride
PubChem CID155906137
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Nameethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;hydrochloride
SMILESCCOC(=O)C(N)c1ncn2c1CCC2.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-2-15-10(14)8(11)9-7-4-3-5-13(7)6-12-9;/h6,8H,2-5,11H2,1H3;1H
InChIKeyZQRXUCVICONDRK-UHFFFAOYSA-N
XLogP0.81
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.81
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;hydrochloride?
The IUPAC name of ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;hydrochloride (CID 155906137) is ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;hydrochloride is CCOC(=O)C(N)c1ncn2c1CCC2.Cl.
What is the InChIKey of ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;hydrochloride?
The InChIKey is ZQRXUCVICONDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.ClH/c1-2-15-10(14)8(11)9-7-4-3-5-13(7)6-12-9;/h6,8H,2-5,11H2,1H3;1H.
What are the key properties of ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;hydrochloride?
ethyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 0.81, 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;hydrochloride is sourced from PubChem (CID 155906137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).