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

C8H13Cl2N3O2 — CID 156505957

IUPAC2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride
SMILESCl.Cl.NC(C(=O)O)c1ncn2c1CCC2
InChIInChI=1S/C8H11N3O2.2ClH/c9-6(8(12)13)7-5-2-1-3-11(5)4-10-7;;/h4,6H,1-3,9H2,(H,12,13);2*1H
InChIKeySVJJTGDMLNPYSA-UHFFFAOYSA-N
MW254.12 g/mol
LogP0.76
Rot. Bonds2

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

2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride (PubChem CID 156505957) has the molecular formula C8H13Cl2N3O2 and a molecular weight of 254.12 g/mol. Its IUPAC name is 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride
PubChem CID156505957
Molecular FormulaC8H13Cl2N3O2
Molecular Weight254.12 g/mol
Exact Mass253.04
IUPAC Name2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride
SMILESCl.Cl.NC(C(=O)O)c1ncn2c1CCC2
InChIInChI=1S/C8H11N3O2.2ClH/c9-6(8(12)13)7-5-2-1-3-11(5)4-10-7;;/h4,6H,1-3,9H2,(H,12,13);2*1H
InChIKeySVJJTGDMLNPYSA-UHFFFAOYSA-N
XLogP0.76
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride?
The IUPAC name of 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride (CID 156505957) is 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride.
What is the SMILES notation for 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride?
The canonical SMILES for 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride is Cl.Cl.NC(C(=O)O)c1ncn2c1CCC2.
What is the InChIKey of 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride?
The InChIKey is SVJJTGDMLNPYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.2ClH/c9-6(8(12)13)7-5-2-1-3-11(5)4-10-7;;/h4,6H,1-3,9H2,(H,12,13);2*1H.
What are the key properties of 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride?
2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride has a molecular weight of 254.12 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid;dihydrochloride is sourced from PubChem (CID 156505957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).